N-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[4-[2-oxo-2-(2-thienylmethylamino)ethyl]phenyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]phenyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[4-[2-keto-2-(2-thenylamino)ethyl]phenyl]-1,3-benzothiazole-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC=C(C=C3)CC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC=C(C=C3)CC(=O)NCC4=CC=CS4

InChI

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