N-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-propyl-benzenecarbothioamide

Systemtic Name: N-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-propyl-benzenecarbothioamide Openeye Name: N-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-propyl-benzenecarbothioamide CAS Name: N-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-propylbenzenecarbothioamide IUPAC Name: N-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-propylbenzenecarbothioamide Traditional Name: N-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-propyl-thiobenzamide Formula: C27H33N3S MolecularWeight: 431.63602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)NC(=S)C4=CC=CC=C4CCC

Isomeric SMILES

CCCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)NC(=S)C4=CC=CC=C4CCC

InChI

InChI=1S/C27H33N3S/c1-3-5-15-30-16-13-21(14-17-30)25-19-28-26-12-11-22(18-24(25)26)29-27(31)23-10-7-6-9-20(23)8-4-2/h6-7,9-13,18-19,28H,3-5,8,14-17H2,1-2H3,(H,29,31)