N-[2-[2-(3-hydroxyphenyl)propanoylamino]ethyl]-3,5-diisothiocyanato-benzamide

Systemtic Name: N-[2-[2-(3-hydroxyphenyl)propanoylamino]ethyl]-3,5-diisothiocyanato-benzamide Openeye Name: N-[2-[2-(3-hydroxyphenyl)propanoylamino]ethyl]-3,5-diisothiocyanato-benzamide CAS Name: N-[2-[[2-(3-hydroxyphenyl)-1-oxopropyl]amino]ethyl]-3,5-diisothiocyanatobenzamide IUPAC Name: N-[2-[2-(3-hydroxyphenyl)propanoylamino]ethyl]-3,5-diisothiocyanatobenzamide Traditional Name: N-[2-[2-(3-hydroxyphenyl)propanoylamino]ethyl]-3,5-diisothiocyanato-benzamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)C(=O)NCCNC(=O)C2=CC(=CC(=C2)N=C=S)N=C=S

Isomeric SMILES

CC(C1=CC(=CC=C1)O)C(=O)NCCNC(=O)C2=CC(=CC(=C2)N=C=S)N=C=S

InChI

InChI=1S/C20H18N4O3S2/c1-13(14-3-2-4-18(25)9-14)19(26)21-5-6-22-20(27)15-7-16(23-11-28)10-17(8-15)24-12-29/h2-4,7-10,13,25H,5-6H2,1H3,(H,21,26)(H,22,27)