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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C29H19ClN2O3S MolecularWeight: 510.99076

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H19ClN2O3S/c30-25-17-22(14-15-23(25)24-16-21-8-4-5-9-26(21)35-28(24)34)31-29(36)32-27(33)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H,(H2,31,32,33,36)