5-methylsulfanyl-4-[2-[(4-phenylmethoxyphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride

Systemtic Name: 5-methylsulfanyl-4-[2-[(4-phenylmethoxyphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Openeye Name: 4-[2-(4-benzyloxyanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine hydrochloride CAS Name: 5-(methylthio)-4-[2-(4-phenylmethoxyanilino)-4-thiazolyl]-2-thiophenecarboximidamide hydrochloride IUPAC Name: 5-methylsulfanyl-4-[2-(4-phenylmethoxyanilino)-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Traditional Name: 4-[2-(4-benzoxyanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxamidine hydrochloride Formula: C22H21ClN4OS3 MolecularWeight: 489.07634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4.Cl

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H20N4OS3.ClH/c1-28-21-17(11-19(30-21)20(23)24)18-13-29-22(26-18)25-15-7-9-16(10-8-15)27-12-14-5-3-2-4-6-14;/h2-11,13H,12H2,1H3,(H3,23,24)(H,25,26);1H