1-butyl-3-(5-chloranyl-1,2-benzothiazol-3-yl)urea

Systemtic Name: 1-butyl-3-(5-chloranyl-1,2-benzothiazol-3-yl)urea Openeye Name: 1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea CAS Name: 1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea IUPAC Name: 1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea Traditional Name: 1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NSC2=C1C=C(C=C2)Cl

Isomeric SMILES

CCCCNC(=O)NC1=NSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-2-3-6-14-12(17)15-11-9-7-8(13)4-5-10(9)18-16-11/h4-5,7H,2-3,6H2,1H3,(H2,14,15,16,17)