1-(3,4-dimethoxyphenyl)-3-[(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(6-fluorothiochroman-4-ylidene)amino]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(6-fluoro-2,3-dihydro-1-benzothiopyran-4-ylidene)amino]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(6-fluorothiochroman-4-ylidene)amino]thiourea Formula: C18H18FN3O2S2 MolecularWeight: 391.482823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NN=C2CCSC3=C2C=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NN=C2CCSC3=C2C=C(C=C3)F)OC

InChI

InChI=1S/C18H18FN3O2S2/c1-23-15-5-4-12(10-16(15)24-2)20-18(25)22-21-14-7-8-26-17-6-3-11(19)9-13(14)17/h3-6,9-10H,7-8H2,1-2H3,(H2,20,22,25)