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

Systemtic Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide Openeye Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]-2-chlorobenzamide IUPAC Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]-3-(methylthio)propyl]-2-chloro-benzamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4O3S2/c1-12(27)23-13-7-8-16-18(11-13)31-21(25-16)26-20(29)17(9-10-30-2)24-19(28)14-5-3-4-6-15(14)22/h3-8,11,17H,9-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,26,29)