1-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[(2-chloro-5-nitro-benzoyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[(2-chloro-5-nitrobenzoyl)amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[(2-chloro-5-nitro-benzoyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C13H17ClN4O4S MolecularWeight: 360.81648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O4S/c1-17(13(23)15-6-3-7-22-2)16-12(19)10-8-9(18(20)21)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H,15,23)(H,16,19)