6,7-dimethyl-1-phenyl-4-[(phenylmethyl)amino]-2-sulfanylidene-1,3-diazepin-5-one

Systemtic Name: 6,7-dimethyl-1-phenyl-4-[(phenylmethyl)amino]-2-sulfanylidene-1,3-diazepin-5-one Openeye Name: 4-(benzylamino)-6,7-dimethyl-1-phenyl-2-thioxo-1,3-diazepin-5-one CAS Name: 6,7-dimethyl-1-phenyl-4-[(phenylmethyl)amino]-2-sulfanylidene-1,3-diazepin-5-one IUPAC Name: 4-(benzylamino)-6,7-dimethyl-1-phenyl-2-sulfanylidene-1,3-diazepin-5-one Traditional Name: 4-(benzylamino)-6,7-dimethyl-1-phenyl-2-thioxo-1,3-diazepin-5-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N=C(C1=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=S)N=C(C1=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3OS/c1-14-15(2)23(17-11-7-4-8-12-17)20(25)22-19(18(14)24)21-13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,21,22,25)