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

Systemtic Name: N-[(2S)-1-(2-benzamidoethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide Openeye Name: N-[(1S)-1-(2-benzamidoethylcarbamoyl)-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: N-[(2S)-1-(2-benzamidoethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-chlorobenzamide IUPAC Name: N-[(2S)-1-(2-benzamidoethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[(1S)-1-(2-benzamidoethylcarbamoyl)-3-(methylthio)propyl]-2-chloro-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NCCNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-29-14-11-18(25-20(27)16-9-5-6-10-17(16)22)21(28)24-13-12-23-19(26)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t18-/m0/s1