4-methyl-5-(phenylmethyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxamide

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxamide Openeye Name: 2-(allylcarbamothioylamino)-5-benzyl-4-methyl-thiophene-3-carboxamide CAS Name: 4-methyl-5-(phenylmethyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxamide Traditional Name: 2-(allylthiocarbamoylamino)-5-benzyl-4-methyl-thiophene-3-carboxamide Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NCC=C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NCC=C)CC2=CC=CC=C2

InChI

InChI=1S/C17H19N3OS2/c1-3-9-19-17(22)20-16-14(15(18)21)11(2)13(23-16)10-12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3,(H2,18,21)(H2,19,20,22)