N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O2S2/c1-25-15-7-9-16(10-8-15)26-13-12-19(24)22-21-23-20-17-5-3-2-4-14(17)6-11-18(20)27-21/h2-5,7-10H,6,11-13H2,1H3,(H,22,23,24)