N,N,4-trimethyl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxamide

Systemtic Name: N,N,4-trimethyl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxamide Openeye Name: N,N,4-trimethyl-2-[(4-propoxybenzoyl)carbamothioylamino]thiazole-5-carboxamide CAS Name: N,N,4-trimethyl-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxamide IUPAC Name: N,N,4-trimethyl-2-[(4-propoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxamide Traditional Name: N,N,4-trimethyl-2-[(4-propoxybenzoyl)thiocarbamoylamino]thiazole-5-carboxamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)N(C)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)N(C)C)C

InChI

InChI=1S/C18H22N4O3S2/c1-5-10-25-13-8-6-12(7-9-13)15(23)20-17(26)21-18-19-11(2)14(27-18)16(24)22(3)4/h6-9H,5,10H2,1-4H3,(H2,19,20,21,23,26)