1-[1-[2-(1-adamantyl)ethyl]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-methylsulfanylphenyl)urea

Systemtic Name: 1-[1-[2-(1-adamantyl)ethyl]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[1-[2-(1-adamantyl)ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[1-[2-(1-adamantyl)ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[1-[2-(1-adamantyl)ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[1-[2-(1-adamantyl)ethyl]-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]-3-[3-(methylthio)phenyl]urea Formula: C35H38N4O3S MolecularWeight: 594.76622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H38N4O3S/c1-43-28-11-7-8-26(19-28)36-34(42)37-31-32(40)38(15-14-35-20-23-16-24(21-35)18-25(17-23)22-35)29-12-5-6-13-30(29)39(33(31)41)27-9-3-2-4-10-27/h2-13,19,23-25,31H,14-18,20-22H2,1H3,(H2,36,37,42)