N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)CC5=CC=CS5

InChI

InChI=1S/C26H28N4O2S2/c31-25(24-9-4-15-34-24)28-23(16-19-17-27-22-8-2-1-7-21(19)22)26(32)30-11-5-10-29(12-13-30)18-20-6-3-14-33-20/h1-4,6-9,14-15,17,23,27H,5,10-13,16,18H2,(H,28,31)