tert-butyl N-(3-cyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propyl-amino]carbamate

Systemtic Name: tert-butyl N-(3-cyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propyl-amino]carbamate Openeye Name: tert-butyl N-(3-cyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propyl-amino]carbamate CAS Name: N-(3-cyanophenyl)-N-[[[4-[2-(methylthio)phenyl]anilino]-oxomethyl]-propylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-cyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propylamino]carbamate Traditional Name: N-(3-cyanophenyl)-N-[[4-[2-(methylthio)phenyl]phenyl]carbamoyl-propyl-amino]carbamic acid tert-butyl ester Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2SC)N(C3=CC=CC(=C3)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2SC)N(C3=CC=CC(=C3)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N4O3S/c1-6-18-32(33(28(35)36-29(2,3)4)24-11-9-10-21(19-24)20-30)27(34)31-23-16-14-22(15-17-23)25-12-7-8-13-26(25)37-5/h7-17,19H,6,18H2,1-5H3,(H,31,34)