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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H20N2O2S2/c1-27-18-9-11-19(12-10-18)28-14-13-22(26)24-17-6-4-5-16(15-17)23-25-20-7-2-3-8-21(20)29-23/h2-12,15H,13-14H2,1H3,(H,24,26)