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

Systemtic Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-13(26)22-15-8-9-16-18(12-15)30-21(24-16)25-20(28)17(10-11-29-2)23-19(27)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,25,28)