N-[2,6-di(propan-2-yl)phenyl]-4-[(7-methylsulfanyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-4-[(7-methylsulfanyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide Openeye Name: N-(2,6-diisopropylphenyl)-4-[(7-methylsulfanyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-4-[[7-(methylthio)-1,3-benzoxazol-2-yl]thio]-2-(1-piperazinyl)butanamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-4-[(7-methylsulfanyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-ylbutanamide Traditional Name: N-(2,6-diisopropylphenyl)-4-[[7-(methylthio)-1,3-benzoxazol-2-yl]thio]-2-piperazino-butyramide Formula: C28H38N4O2S2 MolecularWeight: 526.75692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(CCSC2=NC3=C(O2)C(=CC=C3)SC)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(CCSC2=NC3=C(O2)C(=CC=C3)SC)N4CCNCC4

InChI

InChI=1S/C28H38N4O2S2/c1-18(2)20-8-6-9-21(19(3)4)25(20)31-27(33)23(32-15-13-29-14-16-32)12-17-36-28-30-22-10-7-11-24(35-5)26(22)34-28/h6-11,18-19,23,29H,12-17H2,1-5H3,(H,31,33)