1-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]-3-[(2R)-2-methylheptyl]thiourea

Systemtic Name: 1-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]-3-[(2R)-2-methylheptyl]thiourea Openeye Name: 1-[[2-(dimethylamino)-5-nitro-benzoyl]amino]-3-[(2R)-2-methylheptyl]thiourea CAS Name: 1-[[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]amino]-3-[(2R)-2-methylheptyl]thiourea IUPAC Name: 1-[[2-(dimethylamino)-5-nitrobenzoyl]amino]-3-[(2R)-2-methylheptyl]thiourea Traditional Name: 1-[[2-(dimethylamino)-5-nitro-benzoyl]amino]-3-[(2R)-2-methylheptyl]thiourea Formula: C18H29N5O3S MolecularWeight: 395.51956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O3S/c1-5-6-7-8-13(2)12-19-18(27)21-20-17(24)15-11-14(23(25)26)9-10-16(15)22(3)4/h9-11,13H,5-8,12H2,1-4H3,(H,20,24)(H2,19,21,27)/t13-/m1/s1