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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCN(C)C)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCN(C)C)C(=O)CCSC3=CC=C(C=C3)OC

InChI

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