4-chloranyl-N-[6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-chloro-N-[6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-chloro-N-[6-methyl-3-[(4-methyl-1-piperazinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-chloro-N-[6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-chloro-N-[6-methyl-3-[(4-methylpiperazino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2CN3CCN(CC3)C)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2CN3CCN(CC3)C)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3OS/c1-15-3-8-18-19(14-26-11-9-25(2)10-12-26)22(28-20(18)13-15)24-21(27)16-4-6-17(23)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,24,27)