5-chloranyl-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[(3E)-4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-1-naphthamide Formula: C26H18ClN3O3S MolecularWeight: 487.95742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)/N2

InChI

InChI=1S/C26H18ClN3O3S/c1-14-8-11-23-21(12-14)29-25(33-23)19-13-15(9-10-22(19)31)28-26(34)30-24(32)18-6-2-5-17-16(18)4-3-7-20(17)27/h2-13,29H,1H3,(H2,28,30,32,34)/b25-19+