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

Systemtic Name: 2-(1-adamantyl)-N-[[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-methyl-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(2-ketochromen-3-yl)-3-methyl-phenyl]thiocarbamoyl]acetamide Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C29H30N2O3S/c1-17-8-22(6-7-23(17)24-12-21-4-2-3-5-25(21)34-27(24)33)30-28(35)31-26(32)16-29-13-18-9-19(14-29)11-20(10-18)15-29/h2-8,12,18-20H,9-11,13-16H2,1H3,(H2,30,31,32,35)