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

Systemtic Name: 1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C19H29N5O4S MolecularWeight: 423.52966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O4S/c1-22(19(29)20-10-7-13-28-2)21-18(25)15-8-9-16(17(14-15)24(26)27)23-11-5-3-4-6-12-23/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,29)(H,21,25)