S-[2-[[1-(ethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-phenyl-butyl] ethanethioate

Systemtic Name: S-[2-[[1-(ethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-phenyl-butyl] ethanethioate Openeye Name: S-[2-[[1-(ethylcarbamoyl)-3-methyl-butyl]carbamoyl]-4-phenyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[1-(ethylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-4-phenylbutyl] ester IUPAC Name: S-[2-[[1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-(ethylcarbamoyl)-3-methyl-butyl]carbamoyl]-4-phenyl-butyl] ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCNC(=O)C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C21H32N2O3S/c1-5-22-21(26)19(13-15(2)3)23-20(25)18(14-27-16(4)24)12-11-17-9-7-6-8-10-17/h6-10,15,18-19H,5,11-14H2,1-4H3,(H,22,26)(H,23,25)