N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-13-3-10-19-20(11-13)30-22(26-19)17-12-15(6-9-18(17)24)25-23(31)27-21(28)14-4-7-16(29-2)8-5-14/h3-12H,1-2H3,(H2,25,27,28,31)