2-[(4-ethylphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(4-ethylphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(4-ethylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(4-ethylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(4-ethylbenzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C20H23N3O2S2/c1-2-12-8-10-13(11-9-12)18(25)22-20(26)23-19-16(17(21)24)14-6-4-3-5-7-15(14)27-19/h8-11H,2-7H2,1H3,(H2,21,24)(H2,22,23,25,26)