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

Systemtic Name: 5-methylsulfanyl-4-[2-[(2-propan-2-ylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Openeye Name: 4-[2-(2-isopropylanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine hydrochloride CAS Name: 5-(methylthio)-4-[2-(2-propan-2-ylanilino)-4-thiazolyl]-2-thiophenecarboximidamide hydrochloride IUPAC Name: 5-methylsulfanyl-4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Traditional Name: 4-[2-(2-isopropylanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxamidine hydrochloride Formula: C18H21ClN4S3 MolecularWeight: 425.03414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC2=NC(=CS2)C3=C(SC(=C3)C(=N)N)SC.Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC2=NC(=CS2)C3=C(SC(=C3)C(=N)N)SC.Cl

InChI

InChI=1S/C18H20N4S3.ClH/c1-10(2)11-6-4-5-7-13(11)21-18-22-14(9-24-18)12-8-15(16(19)20)25-17(12)23-3;/h4-10H,1-3H3,(H3,19,20)(H,21,22);1H