1-butyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-butyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-butyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-butyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-butyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-butyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Formula: C14H19N3S2 MolecularWeight: 293.45076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NC2=C(S1)C=C(C(=C2)C)C

Isomeric SMILES

CCCCNC(=S)NC1=NC2=C(S1)C=C(C(=C2)C)C

InChI

InChI=1S/C14H19N3S2/c1-4-5-6-15-13(18)17-14-16-11-7-9(2)10(3)8-12(11)19-14/h7-8H,4-6H2,1-3H3,(H2,15,16,17,18)