2-(1-adamantylcarbonylamino)-N-(2-propoxyphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(1-adamantylcarbonylamino)-N-(2-propoxyphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(adamantane-1-carbonylamino)-N-(2-propoxyphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-N-(2-propoxyphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(adamantane-1-carbonylamino)-N-(2-propoxyphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(adamantane-1-carbonylamino)-N-(2-propoxyphenyl)-1,3-benzothiazole-6-carboxamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O3S/c1-2-9-34-23-6-4-3-5-21(23)29-25(32)20-7-8-22-24(13-20)35-27(30-22)31-26(33)28-14-17-10-18(15-28)12-19(11-17)16-28/h3-8,13,17-19H,2,9-12,14-16H2,1H3,(H,29,32)(H,30,31,33)