N-(2-methyl-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide

Systemtic Name: N-(2-methyl-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide Openeye Name: N-(2-methyl-3-oxo-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide CAS Name: N-(2-methyl-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide IUPAC Name: N-(2-methyl-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide Traditional Name: N-(3-keto-2-methyl-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepin-4-yl)benzamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2CCCCCN2C1=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C2CCCCCN2C1=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S/c1-19-16(22)14(18-15(21)12-8-4-2-5-9-12)13-10-6-3-7-11-20(13)17(19)23/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,18,21)