N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CS2)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C18H21N3O3S2/c1-3-4-7-16(22)20-13-9-8-12(11-14(13)24-2)19-18(25)21-17(23)15-6-5-10-26-15/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,22)(H2,19,21,23,25)