N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide CAS Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Formula: C18H12N4O3S3 MolecularWeight: 428.50788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12N4O3S3/c1-2-9-22-13-8-7-11(28(19,24)25)10-15(13)27-18(22)21-16(23)17-20-12-5-3-4-6-14(12)26-17/h1,3-8,10H,9H2,(H2,19,24,25)