tert-butyl N-[[4-(phenylcarbonylcarbamothioylamino)phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(phenylcarbonylcarbamothioylamino)phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(benzoylcarbamothioylamino)phenyl]methyl]carbamate CAS Name: N-[[4-[[benzamido(sulfanylidene)methyl]amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(benzoylcarbamothioylamino)phenyl]methyl]carbamate Traditional Name: N-[4-(benzoylthiocarbamoylamino)benzyl]carbamic acid tert-butyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O3S/c1-20(2,3)26-19(25)21-13-14-9-11-16(12-10-14)22-18(27)23-17(24)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,25)(H2,22,23,24,27)