2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[3-(1-indolyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(3-indol-1-ylpropyl)nicotinamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCCCN4C=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCCCN4C=CC5=CC=CC=C54

InChI

InChI=1S/C26H24N4O4S/c31-24(29-19-8-9-22-23(15-19)34-17-33-22)16-35-26-20(6-3-11-28-26)25(32)27-12-4-13-30-14-10-18-5-1-2-7-21(18)30/h1-3,5-11,14-15H,4,12-13,16-17H2,(H,27,32)(H,29,31)