N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(6-phenoxyhexanoyl)piperazine-1-carboxamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(6-phenoxyhexanoyl)piperazine-1-carboxamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(6-phenoxyhexanoyl)piperazine-1-carboxamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1-oxo-6-phenoxyhexyl)-1-piperazinecarboxamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(6-phenoxyhexanoyl)piperazine-1-carboxamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(6-phenoxyhexanoyl)piperazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)N3CCN(CC3)C(=O)CCCCCOC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)N3CCN(CC3)C(=O)CCCCCOC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-32-20-11-8-12-21-23(20)26-24(34-21)27-25(31)29-16-14-28(15-17-29)22(30)13-6-3-7-18-33-19-9-4-2-5-10-19/h2,4-5,8-12H,3,6-7,13-18H2,1H3,(H,26,27,31)