2-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-keto-ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-14-8-10-16(11-9-14)22-19(25)12-27-13-20(26)24(3)15(2)21-23-17-6-4-5-7-18(17)28-21/h4-11,15H,12-13H2,1-3H3,(H,22,25)