N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)Cl)OC

InChI

InChI=1S/C25H23ClN2O3S2/c1-30-18-8-10-19(11-9-18)32-15-14-22(29)28(16-17-6-4-3-5-7-17)25-27-23-21(31-2)13-12-20(26)24(23)33-25/h3-13H,14-16H2,1-2H3