4-[2-[1-(3-chlorophenyl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-(3-chlorophenyl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(3-chlorophenyl)propylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(3-chlorophenyl)propylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(3-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(3-chlorophenyl)propylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)Cl)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC(=CC=C1)Cl)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-2-14(11-4-3-5-13(19)8-11)21-17(23)10-27-16-7-6-12(18(20)24)9-15(16)22(25)26/h3-9,14H,2,10H2,1H3,(H2,20,24)(H,21,23)