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

Systemtic Name: N-(2-ethyl-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide Openeye Name: N-(2-ethyl-3-oxo-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide CAS Name: N-(2-ethyl-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide IUPAC Name: N-(2-ethyl-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide Traditional Name: N-(2-ethyl-3-keto-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepin-4-yl)benzamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2CCCCCN2C1=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C(=C2CCCCCN2C1=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S/c1-2-20-17(23)15(19-16(22)13-9-5-3-6-10-13)14-11-7-4-8-12-21(14)18(20)24/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,19,22)