S-[4-(3-methylbutylcarbamoylamino)-3-(methylcarbamoyl)-5-phenyl-pentyl] ethanethioate

Systemtic Name: S-[4-(3-methylbutylcarbamoylamino)-3-(methylcarbamoyl)-5-phenyl-pentyl] ethanethioate Openeye Name: S-[4-(isopentylcarbamoylamino)-3-(methylcarbamoyl)-5-phenyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[4-[[(3-methylbutylamino)-oxomethyl]amino]-3-(methylcarbamoyl)-5-phenylpentyl] ester IUPAC Name: S-[4-(3-methylbutylcarbamoylamino)-3-(methylcarbamoyl)-5-phenylpentyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(isoamylcarbamoylamino)-3-(methylcarbamoyl)-5-phenyl-pentyl] ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)C(CCSC(=O)C)C(=O)NC

Isomeric SMILES

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)C(CCSC(=O)C)C(=O)NC

InChI

InChI=1S/C21H33N3O3S/c1-15(2)10-12-23-21(27)24-19(14-17-8-6-5-7-9-17)18(20(26)22-4)11-13-28-16(3)25/h5-9,15,18-19H,10-14H2,1-4H3,(H,22,26)(H2,23,24,27)