N-[4-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-(1-imidazolylmethyl)phenyl]methylamino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(imidazol-1-ylmethyl)benzyl]amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCNC(=O)C2=CC=CS2)CN3C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCNC(=O)C2=CC=CS2)CN3C=CN=C3

InChI

InChI=1S/C20H22N4O2S/c25-19(8-3-9-22-20(26)18-7-4-12-27-18)23-13-16-5-1-2-6-17(16)14-24-11-10-21-15-24/h1-2,4-7,10-12,15H,3,8-9,13-14H2,(H,22,26)(H,23,25)