1-[(2S)-6-methylheptan-2-yl]-3-[(4-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(4-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(4-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[(2S)-6-methylheptan-2-yl]-3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(4-nitrophenyl)thiocarbamoylamino]thiourea Formula: C16H25N5O2S2 MolecularWeight: 383.532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O2S2/c1-11(2)5-4-6-12(3)17-15(24)19-20-16(25)18-13-7-9-14(10-8-13)21(22)23/h7-12H,4-6H2,1-3H3,(H2,17,19,24)(H2,18,20,25)/t12-/m0/s1