N-[4-[1-(3-bromophenyl)ethylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-[1-(3-bromophenyl)ethylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-[1-(3-bromophenyl)ethylcarbamothioylamino]phenyl]thiazole-4-carboxamide CAS Name: N-[4-[[[1-(3-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiazolecarboxamide IUPAC Name: N-[4-[1-(3-bromophenyl)ethylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-[1-(3-bromophenyl)ethylthiocarbamoylamino]phenyl]thiazole-4-carboxamide Formula: C19H17BrN4OS2 MolecularWeight: 461.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSC=N3

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSC=N3

InChI

InChI=1S/C19H17BrN4OS2/c1-12(13-3-2-4-14(20)9-13)22-19(26)24-16-7-5-15(6-8-16)23-18(25)17-10-27-11-21-17/h2-12H,1H3,(H,23,25)(H2,22,24,26)