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

Systemtic Name: N-(3-oxidanylidene-2-phenyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide Openeye Name: N-(3-oxo-2-phenyl-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide CAS Name: N-(3-oxo-2-phenyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide IUPAC Name: N-(3-oxo-2-phenyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-4-yl)benzamide Traditional Name: N-(3-keto-2-phenyl-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepin-4-yl)benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c26-20(16-10-4-1-5-11-16)23-19-18-14-8-3-9-15-24(18)22(28)25(21(19)27)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,23,26)