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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H16Cl2N2S MolecularWeight: 351.29334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2S/c18-15-6-5-12(9-16(15)19)10-20-17(22)21-8-7-13-3-1-2-4-14(13)11-21/h1-6,9H,7-8,10-11H2,(H,20,22)