N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(p-tolylsulfanyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(p-tolylthio)butyramide Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H29N3OS2/c1-18-11-13-19(14-12-18)28-17-6-10-22(27)26(16-7-15-25(2)3)23-24-20-8-4-5-9-21(20)29-23/h4-5,8-9,11-14H,6-7,10,15-17H2,1-3H3