N-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]-3-methyl-benzamide CAS Name: N-[1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(methylthio)-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[1-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-(methylthio)propyl]-3-methyl-benzamide Formula: C25H29N3O2S2 MolecularWeight: 467.64666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O2S2/c1-17-6-5-7-19(16-17)23(29)26-21(12-15-31-2)25(30)28-13-10-18(11-14-28)24-27-20-8-3-4-9-22(20)32-24/h3-9,16,18,21H,10-15H2,1-2H3,(H,26,29)