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

Systemtic Name: 2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Openeye Name: 2-[3-(2-thienyl)prop-2-enoylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide CAS Name: 2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide IUPAC Name: 2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Traditional Name: 2-[[3-(2-thienyl)acryloyl]thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Formula: C19H21N3O2S3 MolecularWeight: 419.58394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C=CC3=CC=CS3)C(=O)N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C=CC3=CC=CS3)C(=O)N

InChI

InChI=1S/C19H21N3O2S3/c20-17(24)16-13-7-3-1-2-4-8-14(13)27-18(16)22-19(25)21-15(23)10-9-12-6-5-11-26-12/h5-6,9-11H,1-4,7-8H2,(H2,20,24)(H2,21,22,23,25)