methyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-13-3-4-14(11-16(13)22)19(26)24-21(30)23-17-12-15(20(27)28-2)5-6-18(17)25-7-9-29-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,26,30)