methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carbothioamide

Systemtic Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carbothioamide Openeye Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenyl-chromene-8-carbothioamide CAS Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carbothioamide IUPAC Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carbothioamide Traditional Name: 4-keto-N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-3-methyl-2-phenyl-chromene-8-carbothioamide; mesylic acid Formula: C32H37N3O6S2 MolecularWeight: 623.78268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=S)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=S)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C31H33N3O3S.CH4O3S/c1-22-28(35)24-12-8-13-25(30(24)37-29(22)23-10-4-3-5-11-23)31(38)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)36-2;1-5(2,3)4/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,38);1H3,(H,2,3,4)