4-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2,3-dihydrothiochromene-8-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2,3-dihydrothiochromene-8-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-oxo-thiochromane-8-carboxamide CAS Name: 4-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2,3-dihydro-1-benzothiopyran-8-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-oxo-2,3-dihydrothiochromene-8-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4-keto-thiochroman-8-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CSC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-22-10-17-30-23-20(22)8-4-9-21(23)24(29)25-11-5-12-26-13-15-27(16-14-26)18-19-6-2-1-3-7-19/h1-4,6-9H,5,10-18H2,(H,25,29)