ethyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-chloro-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H25ClN4O2S2 MolecularWeight: 489.0532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Cl

InChI

InChI=1S/C23H25ClN4O2S2/c1-2-30-22(29)20-18-9-4-3-5-10-19(18)32-21(20)27-23(31)26-17-8-6-7-15(11-17)13-28-14-16(24)12-25-28/h6-8,11-12,14H,2-5,9-10,13H2,1H3,(H2,26,27,31)