2-(1-adamantyl)-N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]thiocarbamoyl]acetamide Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C29H30N2O4S/c1-34-25-12-21(6-7-22(25)23-11-20-4-2-3-5-24(20)35-27(23)33)30-28(36)31-26(32)16-29-13-17-8-18(14-29)10-19(9-17)15-29/h2-7,11-12,17-19H,8-10,13-16H2,1H3,(H2,30,31,32,36)