1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-3-ethylsulfanyl-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-3-ethylsulfanyl-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-ethylsulfanyl-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[[4-[3-(aminomethyl)phenyl]-1-piperidinyl]-oxomethyl]-3-(ethylthio)-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-ethylsulfanyl-6,6-dimethyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-(ethylthio)-6,6-dimethyl-5,7-dihydroisobenzothiophen-4-one Formula: C25H32N2O2S2 MolecularWeight: 456.66378

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C(=C(S1)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)CC(CC2=O)(C)C

Isomeric SMILES

CCSC1=C2C(=C(S1)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)CC(CC2=O)(C)C

InChI

InChI=1S/C25H32N2O2S2/c1-4-30-24-21-19(13-25(2,3)14-20(21)28)22(31-24)23(29)27-10-8-17(9-11-27)18-7-5-6-16(12-18)15-26/h5-7,12,17H,4,8-11,13-15,26H2,1-3H3