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

Systemtic Name: tert-butyl N-[4-[(2-nitrophenyl)carbamothioylamino]butyl]carbamate Openeye Name: tert-butyl N-[4-[(2-nitrophenyl)carbamothioylamino]butyl]carbamate CAS Name: N-[4-[[(2-nitroanilino)-sulfanylidenemethyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2-nitrophenyl)carbamothioylamino]butyl]carbamate Traditional Name: N-[4-[(2-nitrophenyl)thiocarbamoylamino]butyl]carbamic acid tert-butyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC(=S)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC(=S)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4S/c1-16(2,3)24-15(21)18-11-7-6-10-17-14(25)19-12-8-4-5-9-13(12)20(22)23/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,21)(H2,17,19,25)