N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,3-diphenyl-propionamide Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS2/c1-29(2)16-17-30(27-28-24-15-14-22(32-3)18-25(24)33-27)26(31)19-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,23H,16-17,19H2,1-3H3