N-[(4-acetamidophenyl)methyl]-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide Traditional Name: N-(4-acetamidobenzyl)-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O2S2/c1-13(25)23-15-8-6-14(7-9-15)12-22-20(26)18-10-11-19(27-18)21-24-16-4-2-3-5-17(16)28-21/h2-11H,12H2,1H3,(H,22,26)(H,23,25)