N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]benzamide Formula: C30H21ClN2O4S MolecularWeight: 541.01674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl

InChI

InChI=1S/C30H21ClN2O4S/c31-26-17-22(12-15-24(26)25-16-21-8-4-5-9-27(21)37-29(25)35)32-30(38)33-28(34)20-10-13-23(14-11-20)36-18-19-6-2-1-3-7-19/h1-17H,18H2,(H2,32,33,34,38)