2-[bis(2-phenylethanoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[bis(2-phenylethanoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[bis(2-phenylacetyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[bis(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[bis(2-phenylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[bis(2-phenylacetyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H25N3O3S2/c27-24(32)23-19-13-7-8-14-20(19)34-25(23)28-26(33)29(21(30)15-17-9-3-1-4-10-17)22(31)16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H2,27,32)(H,28,33)