N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H23Cl2N3O5S MolecularWeight: 548.43822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC(=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC(=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H23Cl2N3O5S/c1-33-23-11-15-9-10-29(25(36)28-16-3-8-20(26)21(27)12-16)22(19(15)13-24(23)34-2)14-35-18-6-4-17(5-7-18)30(31)32/h3-8,11-13,22H,9-10,14H2,1-2H3,(H,28,36)