ethyl N'-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamimidothioate

Systemtic Name: ethyl N'-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamimidothioate Openeye Name: 3-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]-2-ethyl-isothiourea CAS Name: N'-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamimidothioate Traditional Name: 3-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]-2-ethyl-isothiourea Formula: C18H19BrN4S2 MolecularWeight: 435.40426

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC2=C(C=C1)N=C(S2)NCCC3=CC=C(C=C3)Br)N

Isomeric SMILES

CCSC(=NC1=CC2=C(C=C1)N=C(S2)NCCC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C18H19BrN4S2/c1-2-24-17(20)22-14-7-8-15-16(11-14)25-18(23-15)21-10-9-12-3-5-13(19)6-4-12/h3-8,11H,2,9-10H2,1H3,(H2,20,22)(H,21,23)