tert-butyl N-[4-[(2-aminophenyl)carbamothioylamino]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[(2-aminophenyl)carbamothioylamino]butyl]carbamate Openeye Name: tert-butyl N-[4-[(2-aminophenyl)carbamothioylamino]butyl]carbamate CAS Name: N-[4-[[(2-aminoanilino)-sulfanylidenemethyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2-aminophenyl)carbamothioylamino]butyl]carbamate Traditional Name: N-[4-[(2-aminophenyl)thiocarbamoylamino]butyl]carbamic acid tert-butyl ester Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC(=S)NC1=CC=CC=C1N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC(=S)NC1=CC=CC=C1N

InChI

InChI=1S/C16H26N4O2S/c1-16(2,3)22-15(21)19-11-7-6-10-18-14(23)20-13-9-5-4-8-12(13)17/h4-5,8-9H,6-7,10-11,17H2,1-3H3,(H,19,21)(H2,18,20,23)