4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[4-(1-oxidanylpyridin-2-ylidene)cyclohexa-2,5-dien-1-ylidene]piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[4-(1-oxidanylpyridin-2-ylidene)cyclohexa-2,5-dien-1-ylidene]piperazine-1-carbothioamide Openeye Name: N-[4-(1-hydroxy-2-pyridylidene)cyclohexa-2,5-dien-1-ylidene]-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-[4-(1-hydroxy-2-pyridinylidene)-1-cyclohexa-2,5-dienylidene]-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-(1-hydroxypyridin-2-ylidene)cyclohexa-2,5-dien-1-ylidene]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-[4-(1-hydroxy-2-pyridylidene)cyclohexa-2,5-dien-1-ylidene]-4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C32H37N7O3S MolecularWeight: 599.74628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)N=C4C=CC(=C5C=CC=CN5O)C=C4)OCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)N=C4C=CC(=C5C=CC=CN5O)C=C4)OCCN6CCCCC6

InChI

InChI=1S/C32H37N7O3S/c1-41-29-21-26-27(22-30(29)42-20-19-36-12-4-2-5-13-36)33-23-34-31(26)37-15-17-38(18-16-37)32(43)35-25-10-8-24(9-11-25)28-7-3-6-14-39(28)40/h3,6-11,14,21-23,40H,2,4-5,12-13,15-20H2,1H3