1-butyl-3-(4-chloranyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-butyl-3-(4-chloranyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-butyl-3-(4-chloro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-butyl-3-(4-chloro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-butyl-3-(4-chloro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-butyl-3-(4-chloro-1,3-benzothiazol-2-yl)thiourea Formula: C12H14ClN3S2 MolecularWeight: 299.84266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NC2=C(S1)C=CC=C2Cl

Isomeric SMILES

CCCCNC(=S)NC1=NC2=C(S1)C=CC=C2Cl

InChI

InChI=1S/C12H14ClN3S2/c1-2-3-7-14-11(17)16-12-15-10-8(13)5-4-6-9(10)18-12/h4-6H,2-3,7H2,1H3,(H2,14,15,16,17)