N-[4-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H15Cl2N3O2S2 MolecularWeight: 476.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3O2S2/c22-14-5-3-13(17(23)12-14)4-10-19(27)26-21(29)25-16-8-6-15(7-9-16)24-20(28)18-2-1-11-30-18/h1-12H,(H,24,28)(H2,25,26,27,29)