[5-methyl-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]thiophen-3-yl]-phenyl-methanone dihydrochloride

Systemtic Name: [5-methyl-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]thiophen-3-yl]-phenyl-methanone dihydrochloride Openeye Name: [5-methyl-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3-thienyl]-phenyl-methanone dihydrochloride CAS Name: [5-methyl-2-[3-(4-methyl-1-piperazinyl)propylthio]-3-thiophenyl]-phenylmethanone dihydrochloride IUPAC Name: [5-methyl-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]thiophen-3-yl]-phenylmethanone dihydrochloride Traditional Name: [5-methyl-2-[3-(4-methylpiperazino)propylthio]-3-thienyl]-phenyl-methanone dihydrochloride Formula: C20H28Cl2N2OS2 MolecularWeight: 447.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)SCCCN2CCN(CC2)C)C(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC1=CC(=C(S1)SCCCN2CCN(CC2)C)C(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C20H26N2OS2.2ClH/c1-16-15-18(19(23)17-7-4-3-5-8-17)20(25-16)24-14-6-9-22-12-10-21(2)11-13-22;;/h3-5,7-8,15H,6,9-14H2,1-2H3;2*1H