2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]acetamide Formula: C27H29N3OS2 MolecularWeight: 475.66866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3OS2/c1-16-8-20(25-28-22-4-2-3-5-23(22)33-25)6-7-21(16)29-26(32)30-24(31)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-15H2,1H3,(H2,29,30,31,32)