ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C26H27N3O4S2/c1-4-33-25(31)18-12-14-19(15-13-18)27-24(30)17(2)35-21-9-7-8-20(16-21)28-26(34)29-22-10-5-6-11-23(22)32-3/h5-17H,4H2,1-3H3,(H,27,30)(H2,28,29,34)