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

Systemtic Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C29H33N3O4S2 MolecularWeight: 551.72002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O4S2/c1-4-6-18-36-28(34)20-14-16-21(17-15-20)30-27(33)26(5-2)38-23-11-9-10-22(19-23)31-29(37)32-24-12-7-8-13-25(24)35-3/h7-17,19,26H,4-6,18H2,1-3H3,(H,30,33)(H2,31,32,37)