6-tert-butyl-2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S2/c1-27(2,3)17-9-12-19-21(15-17)35-25(23(19)24(28)32)30-26(34)29-22(31)14-11-18-10-13-20(33-18)16-7-5-4-6-8-16/h4-8,10-11,13-14,17H,9,12,15H2,1-3H3,(H2,28,32)(H2,29,30,31,34)/b14-11+