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

Systemtic Name: 2-chloranyl-N-[1-[[3-(imidazol-1-ylmethyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-[3-(1-imidazolylmethyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[3-(imidazol-1-ylmethyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)CN2C=CN=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)CN2C=CN=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-30-12-9-20(26-21(28)18-7-2-3-8-19(18)23)22(29)25-17-6-4-5-16(13-17)14-27-11-10-24-15-27/h2-8,10-11,13,15,20H,9,12,14H2,1H3,(H,25,29)(H,26,28)