1-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiourea

Systemtic Name: 1-[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiourea Openeye Name: [2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiourea CAS Name: [2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiourea IUPAC Name: [2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiourea Traditional Name: [2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiourea Formula: C16H15BrN4S2 MolecularWeight: 407.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC3=C(S2)C=C(C=C3)NC(=S)N)Br

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC3=C(S2)C=C(C=C3)NC(=S)N)Br

InChI

InChI=1S/C16H15BrN4S2/c17-11-3-1-10(2-4-11)7-8-19-16-21-13-6-5-12(20-15(18)22)9-14(13)23-16/h1-6,9H,7-8H2,(H,19,21)(H3,18,20,22)