1-(1-methyl-2-oxidanylidene-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(3-methylphenyl)urea

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(1-methyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(m-tolyl)urea CAS Name: 1-(1-methyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(3-methylphenyl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-keto-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(m-tolyl)urea Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CS3)C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CS3)C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O2S/c1-14-7-6-10-16(13-14)23-22(28)25-19-20(27)26(2)21-17(11-12-29-21)18(24-19)15-8-4-3-5-9-15/h3-13,19H,1-2H3,(H2,23,25,28)