N-butyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]thiazole-4-carboxamide Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CSC2=NC3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CSC2=NC3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C17H19N3O2S2/c1-3-4-7-18-16(21)13-9-23-15(19-13)10-24-17-20-12-8-11(2)5-6-14(12)22-17/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,21)