2-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-propoxy-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-propoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-propoxy-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S2/c1-4-7-25-13-6-5-11(8-12(13)19)16(24)21-18(26)22-17-14(15(20)23)9(2)10(3)27-17/h5-6,8H,4,7H2,1-3H3,(H2,20,23)(H2,21,22,24,26)