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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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