3-butoxy-N-[[4-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=CC(=C4)Cl)C=C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=CC(=C4)Cl)C=C2

InChI

InChI=1S/C25H22ClN3O4S/c1-2-3-11-32-18-6-4-5-15(12-18)23(31)29-25(34)27-17-8-9-19(21(30)14-17)24-28-20-13-16(26)7-10-22(20)33-24/h4-10,12-14,28H,2-3,11H2,1H3,(H2,27,29,31,34)