[2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl 4-(aminomethyl)benzoate dihydrochloride

Systemtic Name: [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl 4-(aminomethyl)benzoate dihydrochloride Openeye Name: [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl 4-(aminomethyl)benzoate dihydrochloride CAS Name: 4-(aminomethyl)benzoic acid [2-(methoxycarbonylamino)-5-(propylthio)-1-benzimidazolyl]methyl ester dihydrochloride IUPAC Name: [2-(methoxycarbonylamino)-5-propylsulfanylbenzimidazol-1-yl]methyl 4-(aminomethyl)benzoate dihydrochloride Traditional Name: 4-(aminomethyl)benzoic acid [2-(carbomethoxyamino)-5-(propylthio)benzimidazol-1-yl]methyl ester dihydrochloride Formula: C21H26Cl2N4O4S MolecularWeight: 501.42654

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COC(=O)C3=CC=C(C=C3)CN.Cl.Cl

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COC(=O)C3=CC=C(C=C3)CN.Cl.Cl

InChI

InChI=1S/C21H24N4O4S.2ClH/c1-3-10-30-16-8-9-18-17(11-16)23-20(24-21(27)28-2)25(18)13-29-19(26)15-6-4-14(12-22)5-7-15;;/h4-9,11H,3,10,12-13,22H2,1-2H3,(H,23,24,27);2*1H