N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S2/c1-27-17-9-5-3-7-14(17)20(25)24-16(11-12-28-2)21(26)22-13-19-23-15-8-4-6-10-18(15)29-19/h3-10,16H,11-13H2,1-2H3,(H,22,26)(H,24,25)