N-[3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-4,5-dimethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)-[4-(methylthio)phenyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(4-ethylpiperazino)-[4-(methylthio)phenyl]methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C27H33N3OS2 MolecularWeight: 479.70042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3OS2/c1-5-29-15-17-30(18-16-29)25(21-11-13-23(32-4)14-12-21)24-19(2)20(3)33-27(24)28-26(31)22-9-7-6-8-10-22/h6-14,25H,5,15-18H2,1-4H3,(H,28,31)