1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(1-phenyl-3-sulfanyl-propan-2-yl)urea

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(1-phenyl-3-sulfanyl-propan-2-yl)urea Openeye Name: 1-(1-benzyl-2-sulfanyl-ethyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(1-mercapto-3-phenylpropan-2-yl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(1-phenyl-3-sulfanylpropan-2-yl)urea Traditional Name: 1-(1-benzyl-2-mercapto-ethyl)-3-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC(CC3=CC=CC=C3)CS)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC(CC3=CC=CC=C3)CS)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-30-22-15-9-8-14-21(22)23(19-12-6-3-7-13-19)28-24(25(30)31)29-26(32)27-20(17-33)16-18-10-4-2-5-11-18/h2-15,20,24,33H,16-17H2,1H3,(H2,27,29,32)