4-(5-chloranylthiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(5-chloro-2-thienyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxo-butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-N-[(1-methyl-2-imidazolyl)-phenylmethyl]-4-oxobutanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-[(1-methylimidazol-2-yl)-phenyl-methyl]butyramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-23-12-11-21-19(23)18(13-5-3-2-4-6-13)22-17(25)10-7-14(24)15-8-9-16(20)26-15/h2-6,8-9,11-12,18H,7,10H2,1H3,(H,22,25)