ethyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S2/c1-2-30-25(29)23-21-11-7-4-8-12-22(21)33-24(23)28-26(32)27-19-13-15-20(16-14-19)31-17-18-9-5-3-6-10-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12,17H2,1H3,(H2,27,28,32)