5-(3-ethoxyphenyl)sulfanyl-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1H-indole

Systemtic Name: 5-(3-ethoxyphenyl)sulfanyl-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1H-indole Openeye Name: 5-(3-ethoxyphenyl)sulfanyl-3-(1-isobutyl-4-piperidyl)-2-methyl-1H-indole CAS Name: 5-[(3-ethoxyphenyl)thio]-2-methyl-3-[1-(2-methylpropyl)-4-piperidinyl]-1H-indole IUPAC Name: 5-(3-ethoxyphenyl)sulfanyl-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1H-indole Traditional Name: 3-(1-isobutyl-4-piperidyl)-2-methyl-5-(m-phenetylthio)-1H-indole Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SC2=CC3=C(C=C2)NC(=C3C4CCN(CC4)CC(C)C)C

Isomeric SMILES

CCOC1=CC(=CC=C1)SC2=CC3=C(C=C2)NC(=C3C4CCN(CC4)CC(C)C)C

InChI

InChI=1S/C26H34N2OS/c1-5-29-21-7-6-8-22(15-21)30-23-9-10-25-24(16-23)26(19(4)27-25)20-11-13-28(14-12-20)17-18(2)3/h6-10,15-16,18,20,27H,5,11-14,17H2,1-4H3