3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-keto-2-piperidino-ethyl)thio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=CS4

InChI

InChI=1S/C21H23N3OS2/c22-13-17-15-7-2-3-8-16(15)20(18-9-6-12-26-18)23-21(17)27-14-19(25)24-10-4-1-5-11-24/h6,9,12H,1-5,7-8,10-11,14H2