1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-p-anisyl-thiourea Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S/c1-28-15-7-2-12(3-8-15)11-20-19(29)23-22-18(25)13-4-9-16(21-14-5-6-14)17(10-13)24(26)27/h2-4,7-10,14,21H,5-6,11H2,1H3,(H,22,25)(H2,20,23,29)