methyl 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-24(2,3)18-8-5-16(6-9-18)21(28)26-23(32)25-19-15-17(22(29)30-4)7-10-20(19)27-11-13-31-14-12-27/h5-10,15H,11-14H2,1-4H3,(H2,25,26,28,32)