N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H23N3O4S/c1-15(16-8-9-21-22(12-16)32-14-31-21)27-24(29)20(28-25(30)23-7-4-10-33-23)11-17-13-26-19-6-3-2-5-18(17)19/h2-10,12-13,15,20,26H,11,14H2,1H3,(H,27,29)(H,28,30)