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

Systemtic Name: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[2-(2-azidophenyl)ethyl]-3-(1,3-benzothiazol-2-yl)thiourea Formula: C16H14N6S2 MolecularWeight: 354.45256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCNC(=S)NC2=NC3=CC=CC=C3S2)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C(=C1)CCNC(=S)NC2=NC3=CC=CC=C3S2)N=[N+]=[N-]

InChI

InChI=1S/C16H14N6S2/c17-22-21-12-6-2-1-5-11(12)9-10-18-15(23)20-16-19-13-7-3-4-8-14(13)24-16/h1-8H,9-10H2,(H2,18,19,20,23)