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

Systemtic Name: 1-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[[4-(methylamino)-3-nitro-benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[[4-(methylamino)-3-nitrobenzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[[4-(methylamino)-3-nitro-benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C17H27N5O3S MolecularWeight: 381.49298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O3S/c1-4-5-6-7-12(2)11-19-17(26)21-20-16(23)13-8-9-14(18-3)15(10-13)22(24)25/h8-10,12,18H,4-7,11H2,1-3H3,(H,20,23)(H2,19,21,26)/t12-/m0/s1