N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H17N3OS4 MolecularWeight: 455.63918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17N3OS4/c25-18(16-10-5-11-27-16)23-21(26)24-20-17(12-6-1-3-8-14(12)28-20)19-22-13-7-2-4-9-15(13)29-19/h2,4-5,7,9-11H,1,3,6,8H2,(H2,23,24,25,26)