1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea

Systemtic Name: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea Openeye Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Cl)OC

InChI

InChI=1S/C18H18ClN3O2S2/c1-23-14-8-15(24-2)13(7-12(14)19)21-18(25)22-17-11(9-20)10-5-3-4-6-16(10)26-17/h7-8H,3-6H2,1-2H3,(H2,21,22,25)