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

Systemtic Name: 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-[[4-[3-(aminomethyl)phenyl]-1-piperidinyl]-oxomethyl]-3-(propylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-3-(propylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C24H30N2O2S2 MolecularWeight: 442.6372

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=C(S1)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)CCCC2=O

Isomeric SMILES

CCCSC1=C2C(=C(S1)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)CCCC2=O

InChI

InChI=1S/C24H30N2O2S2/c1-2-13-29-24-21-19(7-4-8-20(21)27)22(30-24)23(28)26-11-9-17(10-12-26)18-6-3-5-16(14-18)15-25/h3,5-6,14,17H,2,4,7-13,15,25H2,1H3