N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C25H34N8O2S MolecularWeight: 510.65486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CN4)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CN4)OCCN5CCCCC5

InChI

InChI=1S/C25H34N8O2S/c1-34-21-15-19-20(16-22(21)35-14-13-31-7-3-2-4-8-31)29-18-30-24(19)32-9-11-33(12-10-32)25(36)28-17-23-26-5-6-27-23/h5-6,15-16,18H,2-4,7-14,17H2,1H3,(H,26,27)(H,28,36)