butyl 4-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-chloro-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-chloro-1-naphthoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-2-3-14-29-22(28)15-10-12-16(13-11-15)25-23(30)26-21(27)19-8-4-7-18-17(19)6-5-9-20(18)24/h4-13H,2-3,14H2,1H3,(H2,25,26,27,30)