3-phenylsulfanyl-5-(piperidin-1-ylmethyl)-1H-indole-2-carboxamide

Systemtic Name: 3-phenylsulfanyl-5-(piperidin-1-ylmethyl)-1H-indole-2-carboxamide Openeye Name: 3-phenylsulfanyl-5-(1-piperidylmethyl)-1H-indole-2-carboxamide CAS Name: 3-(phenylthio)-5-(1-piperidinylmethyl)-1H-indole-2-carboxamide IUPAC Name: 3-phenylsulfanyl-5-(piperidin-1-ylmethyl)-1H-indole-2-carboxamide Traditional Name: 3-(phenylthio)-5-(piperidinomethyl)-1H-indole-2-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H23N3OS/c22-21(25)19-20(26-16-7-3-1-4-8-16)17-13-15(9-10-18(17)23-19)14-24-11-5-2-6-12-24/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2,(H2,22,25)