1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-4,6-dimethylphenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-4,6-dimethylphenyl)-1-methylthiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-thiourea Formula: C18H18ClN3S2 MolecularWeight: 375.93862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H18ClN3S2/c1-11-8-12(2)17(13(19)9-11)21-18(23)22(3)10-16-20-14-6-4-5-7-15(14)24-16/h4-9H,10H2,1-3H3,(H,21,23)