N-[4-[1,3-benzothiazol-2-yl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[1,3-benzothiazol-2-yl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[1,3-benzothiazol-2-yl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[1,3-benzothiazol-2-yl-[[(2R)-2-oxolanyl]methyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[1,3-benzothiazol-2-yl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[1,3-benzothiazol-2-yl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)CCCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[C@@H](OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)CCCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N3O3S/c31-24(8-3-9-28-25(32)27-14-18-11-19(15-27)13-20(12-18)16-27)30(17-21-5-4-10-33-21)26-29-22-6-1-2-7-23(22)34-26/h1-2,6-7,18-21H,3-5,8-17H2,(H,28,32)/t18?,19?,20?,21-,27?/m1/s1