N-(1-benzothiophen-5-ylmethyl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1-benzothiophen-5-ylmethyl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(benzothiophen-5-ylmethyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(1-benzothiophen-5-ylmethyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(1-benzothiophen-5-ylmethyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(benzothiophen-5-ylmethyl)-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(C)C(=O)NCC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(C)C(=O)NCC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C17H17N3O2S2/c1-10-7-15(21)20-17(19-10)24-11(2)16(22)18-9-12-3-4-14-13(8-12)5-6-23-14/h3-8,11H,9H2,1-2H3,(H,18,22)(H,19,20,21)