2,2-bis(azanyl)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-(3-phenylpropyl)-4-propanoyl-thiolane-3-carboxamide

Systemtic Name: 2,2-bis(azanyl)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-(3-phenylpropyl)-4-propanoyl-thiolane-3-carboxamide Openeye Name: 2,2-diamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(3-phenylpropyl)-4-propanoyl-tetrahydrothiophene-3-carboxamide CAS Name: 2,2-diamino-3-(4-hydroxy-2,6-dimethylphenyl)-4-(1-oxopropyl)-N-(3-phenylpropyl)-3-thiolanecarboxamide IUPAC Name: 2,2-diamino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(3-phenylpropyl)-4-propanoylthiolane-3-carboxamide Traditional Name: 2,2-diamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(3-phenylpropyl)-4-propionyl-tetrahydrothiophene-3-carboxamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CSC(C1(C2=C(C=C(C=C2C)O)C)C(=O)NCCCC3=CC=CC=C3)(N)N

Isomeric SMILES

CCC(=O)C1CSC(C1(C2=C(C=C(C=C2C)O)C)C(=O)NCCCC3=CC=CC=C3)(N)N

InChI

InChI=1S/C25H33N3O3S/c1-4-21(30)20-15-32-25(26,27)24(20,22-16(2)13-19(29)14-17(22)3)23(31)28-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14,20,29H,4,8,11-12,15,26-27H2,1-3H3,(H,28,31)