3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbothioamide

Systemtic Name: 3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbothioamide Openeye Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzenecarbothioamide CAS Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzenecarbothioamide IUPAC Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzenecarbothioamide Traditional Name: 3-(2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)thiobenzamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=S)N

Isomeric SMILES

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=S)N

InChI

InChI=1S/C19H19N3O3S/c1-22-14-9-16(25-3)15(24-2)8-13(14)18(21-10-17(22)23)11-5-4-6-12(7-11)19(20)26/h4-9H,10H2,1-3H3,(H2,20,26)