1-[4-(1,3-benzothiazol-2-ylamino)piperidin-1-yl]-3-(3,4-dimethylphenyl)prop-2-yn-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylamino)piperidin-1-yl]-3-(3,4-dimethylphenyl)prop-2-yn-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylamino)-1-piperidyl]-3-(3,4-dimethylphenyl)prop-2-yn-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylamino)-1-piperidinyl]-3-(3,4-dimethylphenyl)-2-propyn-1-one IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylamino)piperidin-1-yl]-3-(3,4-dimethylphenyl)prop-2-yn-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylamino)piperidino]-3-(3,4-dimethylphenyl)prop-2-yn-1-one Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#CC(=O)N2CCC(CC2)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C#CC(=O)N2CCC(CC2)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H23N3OS/c1-16-7-8-18(15-17(16)2)9-10-22(27)26-13-11-19(12-14-26)24-23-25-20-5-3-4-6-21(20)28-23/h3-8,15,19H,11-14H2,1-2H3,(H,24,25)