methyl 3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C25H25N3O5S/c1-31-22-15-17-6-4-3-5-16(17)13-19(22)23(29)27-25(34)26-20-14-18(24(30)32-2)7-8-21(20)28-9-11-33-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H2,26,27,29,34)