butanedioic acid; 3-(1-butylpiperidin-4-yl)-5-(phenylmethylsulfanyl)-1H-indole

Systemtic Name: butanedioic acid; 3-(1-butylpiperidin-4-yl)-5-(phenylmethylsulfanyl)-1H-indole Openeye Name: 5-benzylsulfanyl-3-(1-butyl-4-piperidyl)-1H-indole; succinic acid CAS Name: butanedioic acid; 3-(1-butyl-4-piperidinyl)-5-(phenylmethylthio)-1H-indole IUPAC Name: 5-benzylsulfanyl-3-(1-butylpiperidin-4-yl)-1H-indole; butanedioic acid Traditional Name: 5-(benzylthio)-3-(1-butyl-4-piperidyl)-1H-indole; succinic acid Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SCC4=CC=CC=C4.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SCC4=CC=CC=C4.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H30N2S.C4H6O4/c1-2-3-13-26-14-11-20(12-15-26)23-17-25-24-10-9-21(16-22(23)24)27-18-19-7-5-4-6-8-19;5-3(6)1-2-4(7)8/h4-10,16-17,20,25H,2-3,11-15,18H2,1H3;1-2H2,(H,5,6)(H,7,8)