1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-bromophenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-bromophenyl)thiourea Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-bromophenyl)thiourea CAS Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-bromophenyl)thiourea IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-bromophenyl)thiourea Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-bromophenyl)thiourea Formula: C16H14BrN3S2 MolecularWeight: 392.33646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3S2/c17-11-4-3-5-12(10-11)19-16(21)18-9-8-15-20-13-6-1-2-7-14(13)22-15/h1-7,10H,8-9H2,(H2,18,19,21)