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

Systemtic Name: N-[1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H25N3O3S2/c1-13-11-14(2)19-18(12-13)30-22(24-19)25-21(27)16(9-10-29-4)23-20(26)15-7-5-6-8-17(15)28-3/h5-8,11-12,16H,9-10H2,1-4H3,(H,23,26)(H,24,25,27)