N-[1-[[3-(imidazol-1-ylmethyl)phenyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[[3-(imidazol-1-ylmethyl)phenyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-[3-(imidazol-1-ylmethyl)anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-[3-(1-imidazolylmethyl)anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[3-(imidazol-1-ylmethyl)anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-[3-(imidazol-1-ylmethyl)anilino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H23N5O2S/c32-25(29-20-6-3-5-18(13-20)16-31-11-10-27-17-31)23(30-26(33)24-9-4-12-34-24)14-19-15-28-22-8-2-1-7-21(19)22/h1-13,15,17,23,28H,14,16H2,(H,29,32)(H,30,33)