1-[1-(5-azanyl-7-methyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-phenyl-thiourea

Systemtic Name: 1-[1-(5-azanyl-7-methyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-phenyl-thiourea Openeye Name: 1-[2-(5-amino-7-methyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)-1-benzyl-2-oxo-ethyl]-1-phenyl-thiourea CAS Name: 1-[1-(5-amino-7-methyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)-1-oxo-3-phenylpropan-2-yl]-1-phenylthiourea IUPAC Name: 1-[1-(5-amino-7-methyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)-1-oxo-3-phenylpropan-2-yl]-1-phenylthiourea Traditional Name: 1-[2-(5-amino-7-methyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)-1-benzyl-2-keto-ethyl]-1-phenyl-thiourea Formula: C32H33N5OS MolecularWeight: 535.70232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC(N2N)C(=O)C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=S)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC(N2N)C(=O)C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=S)N)C5=CC=CC=C5

InChI

InChI=1S/C32H33N5OS/c1-23-17-18-27-29(21-23)37(34)28(19-20-35(27)25-13-7-3-8-14-25)31(38)30(22-24-11-5-2-6-12-24)36(32(33)39)26-15-9-4-10-16-26/h2-18,21,28,30H,19-20,22,34H2,1H3,(H2,33,39)