3-(1,3-benzodioxol-5-ylmethyl)-N-cycloheptyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cycloheptyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cycloheptyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cycloheptyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-cycloheptyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-cycloheptyl-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O4S/c28-22(25-17-5-3-1-2-4-6-17)16-8-9-18-19(12-16)26-24(32)27(23(18)29)13-15-7-10-20-21(11-15)31-14-30-20/h7-12,17H,1-6,13-14H2,(H,25,28)(H,26,32)