4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-(thiazol-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(2-thiazolylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-(thiazol-2-ylmethyl)piperazine-1-carbothioamide Formula: C26H35N7O2S2 MolecularWeight: 541.7318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CS4)OCCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CS4)OCCCN5CCCCC5

InChI

InChI=1S/C26H35N7O2S2/c1-34-22-16-20-21(17-23(22)35-14-5-9-31-7-3-2-4-8-31)29-19-30-25(20)32-10-12-33(13-11-32)26(36)28-18-24-27-6-15-37-24/h6,15-17,19H,2-5,7-14,18H2,1H3,(H,28,36)