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

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-(2-dimethylaminoethyl)-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2-dimethylaminoethyl)-3-nitro-benzamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3S/c1-20(2)10-9-19-17(22)12-3-8-16(15(11-12)21(23)24)25-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,22)