2-chloranyl-N-[(2S)-1-[[4-(methylcarbamoyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[[4-(methylcarbamoyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-[[4-(methylcarbamoyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[4-(methylcarbamoyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[4-(methylcarbamoyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-[[4-(methylcarbamoyl)phenyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-22-18(25)13-7-9-14(10-8-13)23-20(27)17(11-12-28-2)24-19(26)15-5-3-4-6-16(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)/t17-/m0/s1