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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3S2/c1-7(2)6-14-11(17)16-12-15-10-8(13)4-3-5-9(10)18-12/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17)