N-[(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-13-8-9-15-17(12-13)27-20(22-15)23-19(25)16(10-11-26-2)21-18(24)14-6-4-3-5-7-14/h3-9,12,16H,10-11H2,1-2H3,(H,21,24)(H,22,23,25)/t16-/m0/s1