1-(4-dimethylaminophenyl)-3-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)thiourea

Systemtic Name: 1-(4-dimethylaminophenyl)-3-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)thiourea Openeye Name: 1-(4-dimethylaminophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)thiourea CAS Name: 1-(4-dimethylaminophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)thiourea IUPAC Name: 1-(4-dimethylaminophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)thiourea Traditional Name: 1-(4-dimethylaminophenyl)-3-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)thiourea Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=S)NC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=S)NC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-29(2)19-15-13-18(14-16-19)26-25(32)28-23-24(31)30(3)21-12-8-7-11-20(21)22(27-23)17-9-5-4-6-10-17/h4-16,23H,1-3H3,(H2,26,28,32)