N-(1-adamantylcarbamoyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H26N6O2S/c1-13(30-20-24-25-26-27(20)17-5-3-2-4-6-17)18(28)22-19(29)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,13-16H,7-12H2,1H3,(H2,22,23,28,29)