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

Systemtic Name: ethyl 2-[(4-phenyldiazenylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-phenylazophenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-phenyldiazenylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-phenylazophenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H26N4O2S2 MolecularWeight: 478.62954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S2/c1-2-31-24(30)22-20-11-7-4-8-12-21(20)33-23(22)27-25(32)26-17-13-15-19(16-14-17)29-28-18-9-5-3-6-10-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12H2,1H3,(H2,26,27,32)