1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(p-tolylmethyl)thiourea CAS Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylbenzyl)thiourea Formula: C18H19N3S2 MolecularWeight: 341.49356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

InChI

InChI=1S/C18H19N3S2/c1-11-4-6-14(7-5-11)10-19-17(22)21-18-20-15-8-12(2)13(3)9-16(15)23-18/h4-9H,10H2,1-3H3,(H2,19,20,21,22)