4-(3-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitro-benzamide

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitro-benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitro-benzamide CAS Name: 4-[(3-chlorophenyl)thio]-N-(2-dimethylaminoethyl)-3-nitrobenzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitrobenzamide Traditional Name: 4-[(3-chlorophenyl)thio]-N-(2-dimethylaminoethyl)-3-nitro-benzamide Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c1-20(2)9-8-19-17(22)12-6-7-16(15(10-12)21(23)24)25-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)