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

Systemtic Name: 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(2-chlorobenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(2-chlorobenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(2-chlorobenzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3O2S2/c19-12-8-5-4-6-10(12)16(24)21-18(25)22-17-14(15(20)23)11-7-2-1-3-9-13(11)26-17/h4-6,8H,1-3,7,9H2,(H2,20,23)(H2,21,22,24,25)