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

Systemtic Name: tert-butyl N-(3-isocyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propyl-amino]carbamate Openeye Name: tert-butyl N-(3-isocyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propyl-amino]carbamate CAS Name: N-(3-isocyanophenyl)-N-[[[4-[2-(methylthio)phenyl]anilino]-oxomethyl]-propylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-isocyanophenyl)-N-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl-propylamino]carbamate Traditional Name: N-(3-isocyanophenyl)-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)[N+]#[C-])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)[N+]#[C-])C(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N4O3S/c1-7-19-32(33(28(35)36-29(2,3)4)24-12-10-11-23(20-24)30-5)27(34)31-22-17-15-21(16-18-22)25-13-8-9-14-26(25)37-6/h8-18,20H,7,19H2,1-4,6H3,(H,31,34)