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

Systemtic Name: 5-methylsulfanyl-4-[2-[(4-piperidin-1-ylsulfonylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Openeye Name: 5-methylsulfanyl-4-[2-[4-(1-piperidylsulfonyl)anilino]thiazol-4-yl]thiophene-2-carboxamidine hydrochloride CAS Name: 5-(methylthio)-4-[2-[4-(1-piperidinylsulfonyl)anilino]-4-thiazolyl]-2-thiophenecarboximidamide hydrochloride IUPAC Name: 5-methylsulfanyl-4-[2-(4-piperidin-1-ylsulfonylanilino)-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Traditional Name: 5-(methylthio)-4-[2-(4-piperidinosulfonylanilino)thiazol-4-yl]thiophene-2-carboxamidine hydrochloride Formula: C20H24ClN5O2S4 MolecularWeight: 530.14986

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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)S(=O)(=O)N4CCCCC4.Cl

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4.Cl

InChI

InChI=1S/C20H23N5O2S4.ClH/c1-28-19-15(11-17(30-19)18(21)22)16-12-29-20(24-16)23-13-5-7-14(8-6-13)31(26,27)25-9-3-2-4-10-25;/h5-8,11-12H,2-4,9-10H2,1H3,(H3,21,22)(H,23,24);1H