ethyl 2-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C26H27N3O4S2/c1-2-33-25(31)22-17-21(16-18-6-4-3-5-7-18)35-23(22)28-26(34)27-20-10-8-19(9-11-20)24(30)29-12-14-32-15-13-29/h3-11,17H,2,12-16H2,1H3,(H2,27,28,34)