4-chloranyl-N-[4-methylsulfanyl-1-[(3-methylsulfanylphenyl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-[(3-methylsulfanylphenyl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(3-methylsulfanylphenyl)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-[3-(methylthio)anilino]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[[3-(methylthio)phenyl]carbamoyl]propyl]-3-nitro-benzamide Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)SC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1=CC(=CC=C1)SC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4S2/c1-28-9-8-16(19(25)21-13-4-3-5-14(11-13)29-2)22-18(24)12-6-7-15(20)17(10-12)23(26)27/h3-7,10-11,16H,8-9H2,1-2H3,(H,21,25)(H,22,24)