N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C26H38N2O4S MolecularWeight: 474.65592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H38N2O4S/c1-5-30-21-11-20(12-22(31-6-2)23(21)32-7-3)24(29)28-25(33)27-16(4)26-13-17-8-18(14-26)10-19(9-17)15-26/h11-12,16-19H,5-10,13-15H2,1-4H3,(H2,27,28,29,33)/t16-,17?,18?,19?,26?/m1/s1