1-[(2S)-2-methylheptyl]-3-[(4-nitrophenyl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(4-nitrophenyl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(4-nitrobenzoyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(4-nitrobenzoyl)amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[(4-nitrobenzoyl)amino]thiourea Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O3S/c1-3-4-5-6-12(2)11-17-16(24)19-18-15(21)13-7-9-14(10-8-13)20(22)23/h7-10,12H,3-6,11H2,1-2H3,(H,18,21)(H2,17,19,24)/t12-/m0/s1