S-[2-[3-methylbutyl-[[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-methylbutyl-[[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[isopentyl-[[3-methyl-1-(4-methylpiperazine-1-carbonyl)butyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-methylbutyl-[[[4-methyl-1-(4-methyl-1-piperazinyl)-1-oxopentan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[3-methylbutyl-[[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[isoamyl-[[3-methyl-1-(4-methylpiperazine-1-carbonyl)butyl]carbamoyl]amino]ethyl] ester Formula: C21H40N4O3S MolecularWeight: 428.6323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC(C)C)C(=O)N1CCN(CC1)C

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC(C)C)C(=O)N1CCN(CC1)C

InChI

InChI=1S/C21H40N4O3S/c1-16(2)7-8-25(13-14-29-18(5)26)21(28)22-19(15-17(3)4)20(27)24-11-9-23(6)10-12-24/h16-17,19H,7-15H2,1-6H3,(H,22,28)