7-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)NC1=S

InChI

InChI=1S/C24H30N4O3S/c1-2-11-28-23(31)19-8-7-18(16-20(19)25-24(28)32)22(30)27-14-9-17(10-15-27)21(29)26-12-5-3-4-6-13-26/h2,7-8,16-17H,1,3-6,9-15H2,(H,25,32)