butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C27H29N3O4S2/c1-3-4-16-34-26(32)19-12-14-20(15-13-19)28-25(31)18-36-22-9-7-8-21(17-22)29-27(35)30-23-10-5-6-11-24(23)33-2/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,31)(H2,29,30,35)