2-chloranyl-N-[1-[(4-cyanophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[(4-cyanophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-[(4-cyanophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-[(4-cyanophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[(4-cyanophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[(4-cyanobenzyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-27-11-10-18(24-19(25)16-4-2-3-5-17(16)21)20(26)23-13-15-8-6-14(12-22)7-9-15/h2-9,18H,10-11,13H2,1H3,(H,23,26)(H,24,25)