N-[5-[1-(3-bromophenyl)ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[5-[1-(3-bromophenyl)ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[5-[1-(3-bromophenyl)ethylcarbamothioylamino]-2-pyridyl]thiazole-4-carboxamide CAS Name: N-[5-[[[1-(3-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-pyridinyl]-4-thiazolecarboxamide IUPAC Name: N-[5-[1-(3-bromophenyl)ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[5-[1-(3-bromophenyl)ethylthiocarbamoylamino]-2-pyridyl]thiazole-4-carboxamide Formula: C18H16BrN5OS2 MolecularWeight: 462.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5OS2/c1-11(12-3-2-4-13(19)7-12)22-18(26)23-14-5-6-16(20-8-14)24-17(25)15-9-27-10-21-15/h2-11H,1H3,(H,20,24,25)(H2,22,23,26)