3-methyl-5-methylsulfanyl-4-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]thiophene-2-carbonitrile

Systemtic Name: 3-methyl-5-methylsulfanyl-4-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]thiophene-2-carbonitrile Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile CAS Name: 3-methyl-5-(methylthio)-4-[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thiophenecarbonitrile IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile Traditional Name: 4-[3-(4-benzylpiperazino)propanoyl]-3-methyl-5-(methylthio)thiophene-2-carbonitrile Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)CCN2CCN(CC2)CC3=CC=CC=C3)SC)C#N

Isomeric SMILES

CC1=C(SC(=C1C(=O)CCN2CCN(CC2)CC3=CC=CC=C3)SC)C#N

InChI

InChI=1S/C21H25N3OS2/c1-16-19(14-22)27-21(26-2)20(16)18(25)8-9-23-10-12-24(13-11-23)15-17-6-4-3-5-7-17/h3-7H,8-13,15H2,1-2H3