1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-p-cumenyl-thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3S/c1-12(2)13-3-6-16(7-4-13)22-20(29)24-23-19(26)14-5-10-17(21-15-8-9-15)18(11-14)25(27)28/h3-7,10-12,15,21H,8-9H2,1-2H3,(H,23,26)(H2,22,24,29)