N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carboxamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)NCC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)NCC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C21H23FN4O2S/c1-28-18-7-6-15(12-16(18)22)14-25-8-10-26(11-9-25)21(27)23-13-20-24-17-4-2-3-5-19(17)29-20/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)