N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

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