N-[3-azanyl-2,6-di(propan-2-yl)phenyl]-4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-butanamide

Systemtic Name: N-[3-azanyl-2,6-di(propan-2-yl)phenyl]-4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-butanamide Openeye Name: N-(3-amino-2,6-diisopropyl-phenyl)-4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-butanamide CAS Name: N-[3-amino-2,6-di(propan-2-yl)phenyl]-4-(1,3-benzoxazol-2-ylthio)-2-(1-piperazinyl)butanamide IUPAC Name: N-[3-amino-2,6-di(propan-2-yl)phenyl]-4-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-ylbutanamide Traditional Name: N-(3-amino-2,6-diisopropyl-phenyl)-4-(1,3-benzoxazol-2-ylthio)-2-piperazino-butyramide Formula: C27H37N5O2S MolecularWeight: 495.67998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)N)C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)N)C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

InChI=1S/C27H37N5O2S/c1-17(2)19-9-10-20(28)24(18(3)4)25(19)31-26(33)22(32-14-12-29-13-15-32)11-16-35-27-30-21-7-5-6-8-23(21)34-27/h5-10,17-18,22,29H,11-16,28H2,1-4H3,(H,31,33)