N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-phenyl-thiochromene-8-carboxamide

Systemtic Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-phenyl-thiochromene-8-carboxamide Openeye Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-2-phenyl-thiochromene-8-carboxamide CAS Name: N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-4-oxo-2-phenyl-1-benzothiopyran-8-carboxamide IUPAC Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-2-phenylthiochromene-8-carboxamide Traditional Name: 4-keto-N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-2-phenyl-thiochromene-8-carboxamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC=CC4=C3SC(=CC4=O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-36-27-14-6-5-13-25(27)33-19-17-32(18-20-33)16-8-15-31-30(35)24-12-7-11-23-26(34)21-28(37-29(23)24)22-9-3-2-4-10-22/h2-7,9-14,21H,8,15-20H2,1H3,(H,31,35)