4-[5-(2-azanylpropanethioylamino)-1-benzofuran-3-yl]-N-methyl-butanamide

Systemtic Name: 4-[5-(2-azanylpropanethioylamino)-1-benzofuran-3-yl]-N-methyl-butanamide Openeye Name: 4-[5-(2-aminopropanethioylamino)benzofuran-3-yl]-N-methyl-butanamide CAS Name: 4-[5-[(2-amino-1-sulfanylidenepropyl)amino]-3-benzofuranyl]-N-methylbutanamide IUPAC Name: 4-[5-(2-aminopropanethioylamino)-1-benzofuran-3-yl]-N-methylbutanamide Traditional Name: 4-[5-(2-aminopropanethioylamino)benzofuran-3-yl]-N-methyl-butyramide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)NC1=CC2=C(C=C1)OC=C2CCCC(=O)NC)N

Isomeric SMILES

CC(C(=S)NC1=CC2=C(C=C1)OC=C2CCCC(=O)NC)N

InChI

InChI=1S/C16H21N3O2S/c1-10(17)16(22)19-12-6-7-14-13(8-12)11(9-21-14)4-3-5-15(20)18-2/h6-10H,3-5,17H2,1-2H3,(H,18,20)(H,19,22)