2-(1-azanylethylsulfanyl)-N-(6-phenyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1-azanylethylsulfanyl)-N-(6-phenyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-aminoethylsulfanyl)-N-(6-phenyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(1-aminoethylthio)-N-(6-phenyl-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(1-aminoethylsulfanyl)-N-(6-phenyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(1-aminoethylthio)-N-(6-phenyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C19H16N4OS3 MolecularWeight: 412.55154

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)SC1=NC(=CS1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(N)SC1=NC(=CS1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS3/c1-11(20)26-19-22-15(10-25-19)17(24)23-18-21-14-8-7-13(9-16(14)27-18)12-5-3-2-4-6-12/h2-11H,20H2,1H3,(H,21,23,24)