4-[ethanoyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-imidazol-1-ylpropyl)thiane-4-carboxamide

Systemtic Name: 4-[ethanoyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-imidazol-1-ylpropyl)thiane-4-carboxamide Openeye Name: 4-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-imidazol-1-ylpropyl)tetrahydrothiopyran-4-carboxamide CAS Name: 4-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[3-(1-imidazolyl)propyl]-4-thianecarboxamide IUPAC Name: 4-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-imidazol-1-ylpropyl)thiane-4-carboxamide Traditional Name: 4-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-imidazol-1-ylpropyl)tetrahydrothiopyran-4-carboxamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC1=CNC2=CC=CC=C21)C3(CCSCC3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC(=O)N(CCC1=CNC2=CC=CC=C21)C3(CCSCC3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C24H31N5O2S/c1-19(30)29(13-7-20-17-27-22-6-3-2-5-21(20)22)24(8-15-32-16-9-24)23(31)26-10-4-12-28-14-11-25-18-28/h2-3,5-6,11,14,17-18,27H,4,7-10,12-13,15-16H2,1H3,(H,26,31)