propan-2-yl 4-[[3-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[[3-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Openeye Name: isopropyl 4-[[3-[(4-isopropoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]benzoic acid isopropyl ester Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C28H30N4O4S2/c1-17(2)35-25(33)19-8-12-21(13-9-19)29-27(37)31-23-6-5-7-24(16-23)32-28(38)30-22-14-10-20(11-15-22)26(34)36-18(3)4/h5-18H,1-4H3,(H2,29,31,37)(H2,30,32,38)