N-[4-(3-phenylpropylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: N-[4-(3-phenylpropylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[4-(3-phenylpropylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: N-[4-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(3-phenylpropylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: N-[4-(3-phenylpropylthiocarbamoylamino)phenyl]-2-furamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21N3O2S/c25-20(19-9-5-15-26-19)23-17-10-12-18(13-11-17)24-21(27)22-14-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-13,15H,4,8,14H2,(H,23,25)(H2,22,24,27)