3-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NC6=C(S5)CCCC6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NC6=C(S5)CCCC6

InChI

InChI=1S/C25H30N2O2S/c1-29-19-8-6-18(7-9-19)24-11-16-10-17(12-24)14-25(13-16,15-24)22(28)27-23-26-20-4-2-3-5-21(20)30-23/h6-9,16-17H,2-5,10-15H2,1H3,(H,26,27,28)