[3-(4-aminophenyl)carbonyloxy-3,3-bis(5-azanyl-2-sulfanyl-phenoxy)propyl] 4-azanylbenzoate; ethane

Systemtic Name: [3-(4-aminophenyl)carbonyloxy-3,3-bis(5-azanyl-2-sulfanyl-phenoxy)propyl] 4-azanylbenzoate; ethane Openeye Name: [3-(4-aminobenzoyl)oxy-3,3-bis(5-amino-2-sulfanyl-phenoxy)propyl] 4-aminobenzoate; ethane CAS Name: 4-aminobenzoic acid [3,3-bis(5-amino-2-mercaptophenoxy)-3-[(4-aminophenyl)-oxomethoxy]propyl] ester; ethane IUPAC Name: [3-(4-aminobenzoyl)oxy-3,3-bis(5-amino-2-sulfanylphenoxy)propyl] 4-aminobenzoate; ethane Traditional Name: 4-aminobenzoic acid [3-(4-aminobenzoyl)oxy-3,3-bis(5-amino-2-mercapto-phenoxy)propyl] ester; ethane Formula: C31H34N4O6S2 MolecularWeight: 622.75486

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1=CC(=CC=C1C(=O)OCCC(OC2=C(C=CC(=C2)N)S)(OC3=C(C=CC(=C3)N)S)OC(=O)C4=CC=C(C=C4)N)N

Isomeric SMILES

CC.C1=CC(=CC=C1C(=O)OCCC(OC2=C(C=CC(=C2)N)S)(OC3=C(C=CC(=C3)N)S)OC(=O)C4=CC=C(C=C4)N)N

InChI

InChI=1S/C29H28N4O6S2.C2H6/c30-19-5-1-17(2-6-19)27(34)36-14-13-29(37-23-15-21(32)9-11-25(23)40,38-24-16-22(33)10-12-26(24)41)39-28(35)18-3-7-20(31)8-4-18;1-2/h1-12,15-16,40-41H,13-14,30-33H2;1-2H3