S-[4-(methylamino)-3-[3-(3-methylbutylcarbamoylamino)phenyl]-4-oxidanylidene-butyl] ethanethioate

Systemtic Name: S-[4-(methylamino)-3-[3-(3-methylbutylcarbamoylamino)phenyl]-4-oxidanylidene-butyl] ethanethioate Openeye Name: S-[3-[3-(isopentylcarbamoylamino)phenyl]-4-(methylamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(methylamino)-3-[3-[[(3-methylbutylamino)-oxomethyl]amino]phenyl]-4-oxobutyl] ester IUPAC Name: S-[4-(methylamino)-3-[3-(3-methylbutylcarbamoylamino)phenyl]-4-oxobutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[3-(isoamylcarbamoylamino)phenyl]-4-keto-4-(methylamino)butyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1=CC=CC(=C1)C(CCSC(=O)C)C(=O)NC

Isomeric SMILES

CC(C)CCNC(=O)NC1=CC=CC(=C1)C(CCSC(=O)C)C(=O)NC

InChI

InChI=1S/C19H29N3O3S/c1-13(2)8-10-21-19(25)22-16-7-5-6-15(12-16)17(18(24)20-4)9-11-26-14(3)23/h5-7,12-13,17H,8-11H2,1-4H3,(H,20,24)(H2,21,22,25)