1-(3-methylphenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(3-methylphenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(m-tolyl)-3-(5-phenyl-2-thioxo-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(3-methylphenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(3-methylphenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(m-tolyl)-3-(5-phenyl-2-thioxo-1,4-benzodiazepin-3-yl)urea Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=NC(=C3C=CC=CC3=NC2=S)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=NC(=C3C=CC=CC3=NC2=S)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4OS/c1-15-8-7-11-17(14-15)24-23(28)27-21-22(29)25-19-13-6-5-12-18(19)20(26-21)16-9-3-2-4-10-16/h2-14H,1H3,(H2,24,25,26,27,28,29)