5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[3-(4-phenyl-1-piperazinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-[3-(4-phenylpiperazino)propyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3OS/c1-18-8-9-21-19(16-18)17-22(28-21)23(27)24-10-5-11-25-12-14-26(15-13-25)20-6-3-2-4-7-20/h2-4,6-7,17-18H,5,8-16H2,1H3,(H,24,27)