2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(3-thiophen-3-ylpropylamino)propan-2-yl]propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(3-thiophen-3-ylpropylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-oxo-2-[3-(3-thienyl)propylamino]ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-[3-(3-thiophenyl)propylamino]propan-2-yl]propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(3-thiophen-3-ylpropylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-keto-1-methyl-2-[3-(3-thienyl)propylamino]ethyl]propionamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCC2=CSC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCC2=CSC=C2)N)C)O

InChI

InChI=1S/C21H29N3O3S/c1-13-9-17(25)10-14(2)18(13)11-19(22)21(27)24-15(3)20(26)23-7-4-5-16-6-8-28-12-16/h6,8-10,12,15,19,25H,4-5,7,11,22H2,1-3H3,(H,23,26)(H,24,27)