ethyl 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H23BrN2O4S2 MolecularWeight: 547.48442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

InChI

InChI=1S/C24H23BrN2O4S2/c1-3-31-23(29)18-15-10-6-7-11-17(15)33-22(18)27-24(32)26-21(28)16-12-13-8-4-5-9-14(13)19(25)20(16)30-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H2,26,27,28,32)