2-[3-[(3-methylsulfanylphenyl)carbamoylamino]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[(3-methylsulfanylphenyl)carbamoylamino]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[3-[(3-methylsulfanylphenyl)carbamoylamino]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-phenyl-acetamide CAS Name: 2-[3-[[[3-(methylthio)anilino]-oxomethyl]amino]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(3-methylsulfanylphenyl)carbamoylamino]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[2,4-diketo-3-[[3-(methylthio)phenyl]carbamoylamino]-5-phenyl-1,5-benzodiazepin-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C34H33N5O4S MolecularWeight: 607.72192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC(=CC=C4)SC)C5=CC=CC=C5

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC(=CC=C4)SC)C5=CC=CC=C5

InChI

InChI=1S/C34H33N5O4S/c1-23(2)38(25-14-6-4-7-15-25)30(40)22-37-28-19-10-11-20-29(28)39(26-16-8-5-9-17-26)33(42)31(32(37)41)36-34(43)35-24-13-12-18-27(21-24)44-3/h4-21,23,31H,22H2,1-3H3,(H2,35,36,43)