[2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl 4-azanylbenzoate hydrochloride

Systemtic Name: [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl 4-azanylbenzoate hydrochloride Openeye Name: [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl 4-aminobenzoate hydrochloride CAS Name: 4-aminobenzoic acid [2-(methoxycarbonylamino)-5-(propylthio)-1-benzimidazolyl]methyl ester hydrochloride IUPAC Name: [2-(methoxycarbonylamino)-5-propylsulfanylbenzimidazol-1-yl]methyl 4-aminobenzoate hydrochloride Traditional Name: 4-aminobenzoic acid [2-(carbomethoxyamino)-5-(propylthio)benzimidazol-1-yl]methyl ester hydrochloride Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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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)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S.ClH/c1-3-10-29-15-8-9-17-16(11-15)22-19(23-20(26)27-2)24(17)12-28-18(25)13-4-6-14(21)7-5-13;/h4-9,11H,3,10,12,21H2,1-2H3,(H,22,23,26);1H