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

Systemtic Name: 2-[(3-methylphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-methylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3-methylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(m-toluoylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C19H21N3O2S2/c1-11-6-5-7-12(10-11)17(24)21-19(25)22-18-15(16(20)23)13-8-3-2-4-9-14(13)26-18/h5-7,10H,2-4,8-9H2,1H3,(H2,20,23)(H2,21,22,24,25)