3-chloranyl-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H16ClN3O3S2/c1-2-11-27-13-9-7-12(8-10-13)18(25)23-24-20(28)22-19(26)17-16(21)14-5-3-4-6-15(14)29-17/h2-10H,1,11H2,(H,23,25)(H2,22,24,26,28)