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

Systemtic Name: 2-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C20H23N3O3S2/c1-11-7-6-9-13(16(11)26-2)18(25)22-20(27)23-19-15(17(21)24)12-8-4-3-5-10-14(12)28-19/h6-7,9H,3-5,8,10H2,1-2H3,(H2,21,24)(H2,22,23,25,27)