N-[1-[1-(3,4-dimethoxyphenyl)indol-3-yl]sulfanylpropyl]-3,4-dihydro-2H-pyrrol-5-amine benzoate

Systemtic Name: N-[1-[1-(3,4-dimethoxyphenyl)indol-3-yl]sulfanylpropyl]-3,4-dihydro-2H-pyrrol-5-amine benzoate Openeye Name: N-[1-[1-(3,4-dimethoxyphenyl)indol-3-yl]sulfanylpropyl]-3,4-dihydro-2H-pyrrol-5-amine benzoate CAS Name: N-[1-[[1-(3,4-dimethoxyphenyl)-3-indolyl]thio]propyl]-3,4-dihydro-2H-pyrrol-5-amine benzoate IUPAC Name: N-[1-[1-(3,4-dimethoxyphenyl)indol-3-yl]sulfanylpropyl]-3,4-dihydro-2H-pyrrol-5-amine benzoate Traditional Name: 1-[[1-(3,4-dimethoxyphenyl)indol-3-yl]thio]propyl-(1-pyrrolin-2-yl)amine benzoate Formula: C30H32N3O4S- MolecularWeight: 530.65778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=NCCC1)SC2=CN(C3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC(NC1=NCCC1)SC2=CN(C3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C23H27N3O2S.C7H6O2/c1-4-23(25-22-10-7-13-24-22)29-21-15-26(18-9-6-5-8-17(18)21)16-11-12-19(27-2)20(14-16)28-3;8-7(9)6-4-2-1-3-5-6/h5-6,8-9,11-12,14-15,23H,4,7,10,13H2,1-3H3,(H,24,25);1-5H,(H,8,9)/p-1