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

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4S/c1-20(16(26)17-8-3-9-25-2)19-15(22)11-4-7-13(18-12-5-6-12)14(10-11)21(23)24/h4,7,10,12,18H,3,5-6,8-9H2,1-2H3,(H,17,26)(H,19,22)