1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3S/c1-4-5-6-7-12(2)11-18-17(25)20-19-16(22)14-8-9-15(21(23)24)13(3)10-14/h8-10,12H,4-7,11H2,1-3H3,(H,19,22)(H2,18,20,25)/t12-/m0/s1