N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]adamantane-1-carbothioamide

Systemtic Name: N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]adamantane-1-carbothioamide Openeye Name: N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]adamantane-1-carbothioamide CAS Name: N-[4-[3-[2-(1-pyrrolidinyl)ethyl]-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-adamantanecarbothioamide IUPAC Name: N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]adamantane-1-carbothioamide Traditional Name: N-[4-[3-(2-pyrrolidinoethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]adamantane-1-carbothioamide Formula: C30H40N4S MolecularWeight: 488.7304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CNC3=C2C=C(C=C3)C4=CCN(CC4)NC(=S)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCN(C1)CCC2=CNC3=C2C=C(C=C3)C4=CCN(CC4)NC(=S)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H40N4S/c35-29(30-17-21-13-22(18-30)15-23(14-21)19-30)32-34-11-6-24(7-12-34)25-3-4-28-27(16-25)26(20-31-28)5-10-33-8-1-2-9-33/h3-4,6,16,20-23,31H,1-2,5,7-15,17-19H2,(H,32,35)