methyl N-[[2-(2-morpholin-4-ylethanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(2-morpholin-4-ylethanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[(2-morpholinoacetyl)amino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[(2-morpholin-4-ylacetyl)amino]-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[(2-morpholinoacetyl)amino]-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)CN3CCOCC3

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)CN3CCOCC3

InChI

InChI=1S/C21H24N4O4S2/c1-28-21(27)24-20(30)23-17-8-7-16(31-15-5-3-2-4-6-15)13-18(17)22-19(26)14-25-9-11-29-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H2,23,24,27,30)