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

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(quinolin-3-ylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-(3-quinolylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-(3-quinolinylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-(3-quinolylcarbamoyl)propyl]-3-nitro-benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4S/c1-31-9-8-18(25-20(27)14-6-7-16(22)19(11-14)26(29)30)21(28)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-7,10-12,18H,8-9H2,1H3,(H,24,28)(H,25,27)