5-(1,3-benzothiazol-2-yl)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S2/c25-19(22-12-14-6-2-1-3-7-14)13-23-20(26)17-10-11-18(27-17)21-24-15-8-4-5-9-16(15)28-21/h1-11H,12-13H2,(H,22,25)(H,23,26)