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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(p-tolylthio)propionamide Formula: C22H26ClN3O2S2 MolecularWeight: 464.04374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C22H26ClN3O2S2/c1-15-5-7-16(8-6-15)29-14-11-19(27)26(13-12-25(2)3)22-24-20-18(28-4)10-9-17(23)21(20)30-22/h5-10H,11-14H2,1-4H3