1-(4-chloranyl-1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(4-chloranyl-1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-homoveratryl-thiourea Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=NC3=C(S2)C=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=NC3=C(S2)C=CC=C3Cl)OC

InChI

InChI=1S/C18H18ClN3O2S2/c1-23-13-7-6-11(10-14(13)24-2)8-9-20-17(25)22-18-21-16-12(19)4-3-5-15(16)26-18/h3-7,10H,8-9H2,1-2H3,(H2,20,21,22,25)