ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(4-fluorophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(4-fluorophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(4-fluorobenzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(1,2-dihydroacenaphthylen-5-yl)-2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,2-dihydroacenaphthylen-5-yl)-2-[(4-fluorobenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-acenaphthen-5-yl-2-[(4-fluorobenzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H21FN2O3S2 MolecularWeight: 504.595643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C3C=CC=C4C3=C(CC4)C=C2)NC(=S)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C3C=CC=C4C3=C(CC4)C=C2)NC(=S)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN2O3S2/c1-2-33-26(32)23-21(19-13-10-16-7-6-15-4-3-5-20(19)22(15)16)14-35-25(23)30-27(34)29-24(31)17-8-11-18(28)12-9-17/h3-5,8-14H,2,6-7H2,1H3,(H2,29,30,31,34)