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

Systemtic Name: N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-4-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide Openeye Name: N-(2,6-diisopropyl-4-methoxy-phenyl)-4-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide CAS Name: N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-4-[(7-nitro-1,3-benzoxazol-2-yl)thio]-2-(1-piperazinyl)butanamide IUPAC Name: N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-4-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-ylbutanamide Traditional Name: N-(2,6-diisopropyl-4-methoxy-phenyl)-4-[(7-nitro-1,3-benzoxazol-2-yl)thio]-2-piperazino-butyramide Formula: C28H37N5O5S MolecularWeight: 555.68888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1NC(=O)C(CCSC2=NC3=C(O2)C(=CC=C3)[N+](=O)[O-])N4CCNCC4)C(C)C)OC

Isomeric SMILES

CC(C)C1=CC(=CC(=C1NC(=O)C(CCSC2=NC3=C(O2)C(=CC=C3)[N+](=O)[O-])N4CCNCC4)C(C)C)OC

InChI

InChI=1S/C28H37N5O5S/c1-17(2)20-15-19(37-5)16-21(18(3)4)25(20)31-27(34)24(32-12-10-29-11-13-32)9-14-39-28-30-22-7-6-8-23(33(35)36)26(22)38-28/h6-8,15-18,24,29H,9-14H2,1-5H3,(H,31,34)