tert-butyl N-[(4-butylphenyl)carbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[(4-butylphenyl)carbamothioylamino]carbamate Openeye Name: tert-butyl N-[(4-butylphenyl)carbamothioylamino]carbamate CAS Name: N-[[(4-butylanilino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-butylphenyl)carbamothioylamino]carbamate Traditional Name: N-[(4-butylphenyl)thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)OC(C)(C)C

InChI

InChI=1S/C16H25N3O2S/c1-5-6-7-12-8-10-13(11-9-12)17-14(22)18-19-15(20)21-16(2,3)4/h8-11H,5-7H2,1-4H3,(H,19,20)(H2,17,18,22)