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

Systemtic Name: 2-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(2,6-dimethoxybenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(2,6-dimethoxybenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(2,6-dimethoxybenzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C20H23N3O4S2/c1-26-12-8-6-9-13(27-2)16(12)18(25)22-20(28)23-19-15(17(21)24)11-7-4-3-5-10-14(11)29-19/h6,8-9H,3-5,7,10H2,1-2H3,(H2,21,24)(H2,22,23,25,28)