4-(4-methoxyphenyl)-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C5CCCCCN5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C5CCCCCN5C4=O

InChI

InChI=1S/C25H29N5O2S/c1-32-20-9-7-19(8-10-20)28-13-15-29(16-14-28)25(33)26-18-6-11-22-21(17-18)24(31)30-12-4-2-3-5-23(30)27-22/h6-11,17H,2-5,12-16H2,1H3,(H,26,33)