N-[(2-azanylbutanoylamino)carbamoyl]-N-[2-(1-benzothiophen-3-yl)propanoyl]-2,4-dimethyl-pentanamide

Systemtic Name: N-[(2-azanylbutanoylamino)carbamoyl]-N-[2-(1-benzothiophen-3-yl)propanoyl]-2,4-dimethyl-pentanamide Openeye Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(benzothiophen-3-yl)propanoyl]-2,4-dimethyl-pentanamide CAS Name: N-[[(2-amino-1-oxobutyl)hydrazo]-oxomethyl]-N-[2-(1-benzothiophen-3-yl)-1-oxopropyl]-2,4-dimethylpentanamide IUPAC Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1-benzothiophen-3-yl)propanoyl]-2,4-dimethylpentanamide Traditional Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(benzothiophen-3-yl)propanoyl]-2,4-dimethyl-valeramide Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)N(C(=O)C(C)CC(C)C)C(=O)C(C)C1=CSC2=CC=CC=C21)N

Isomeric SMILES

CCC(C(=O)NNC(=O)N(C(=O)C(C)CC(C)C)C(=O)C(C)C1=CSC2=CC=CC=C21)N

InChI

InChI=1S/C23H32N4O4S/c1-6-18(24)20(28)25-26-23(31)27(21(29)14(4)11-13(2)3)22(30)15(5)17-12-32-19-10-8-7-9-16(17)19/h7-10,12-15,18H,6,11,24H2,1-5H3,(H,25,28)(H,26,31)