5-[[(6-tert-butyl-3-pentanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(6-tert-butyl-3-pentanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(6-tert-butyl-3-pentanoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[[6-tert-butyl-3-(1-oxopentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(6-tert-butyl-3-pentanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(6-tert-butyl-3-valeryl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCCCC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C22H29N3O3S2/c1-5-6-7-15(26)17-13-9-8-12(22(2,3)4)10-16(13)30-20(17)23-11-14-18(27)24-21(29)25-19(14)28/h11-12,23H,5-10H2,1-4H3,(H2,24,25,27,28,29)