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

Systemtic Name: 4-chloranyl-N-[1-[[4-(cyanomethyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[[4-(cyanomethyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[4-(cyanomethyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[4-(cyanomethyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[4-(cyanomethyl)phenyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4S/c1-30-11-9-17(20(27)23-15-5-2-13(3-6-15)8-10-22)24-19(26)14-4-7-16(21)18(12-14)25(28)29/h2-7,12,17H,8-9,11H2,1H3,(H,23,27)(H,24,26)