1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O3S/c1-3-13-6-4-5-12(2)18(13)22-20(29)24-23-19(26)14-7-10-16(21-15-8-9-15)17(11-14)25(27)28/h4-7,10-11,15,21H,3,8-9H2,1-2H3,(H,23,26)(H2,22,24,29)