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

Systemtic Name: 5-[[(3-pentanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(3-pentanoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[[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-[[(3-pentanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 2-thioxo-5-[[(3-valeryl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methylene]hexahydropyrimidine-4,6-quinone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCCCC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H21N3O3S2/c1-2-3-7-12(22)14-10-6-4-5-8-13(10)26-17(14)19-9-11-15(23)20-18(25)21-16(11)24/h9,19H,2-8H2,1H3,(H2,20,21,23,24,25)