2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]acetamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2S2/c1-32-22-7-6-19(25-28-20-4-2-3-5-23(20)34-25)11-21(22)29-26(33)30-24(31)15-27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-15H2,1H3,(H2,29,30,31,33)