2-(phenylcarbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Systemtic Name: 2-(phenylcarbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Openeye Name: 2-(benzoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide IUPAC Name: 2-(benzoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Traditional Name: 2-(benzoylthiocarbamoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H21N3O2S2/c20-16(23)15-13-10-6-1-2-7-11-14(13)26-18(15)22-19(25)21-17(24)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H2,20,23)(H2,21,22,24,25)