3-chloranyl-4-methoxy-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-methoxy-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methoxy-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methoxy-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-methoxy-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C26H18ClN3O3S MolecularWeight: 487.95742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)Cl

InChI

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