3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dihexyl-thiourea

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dihexyl-thiourea Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dihexyl-thiourea CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dihexylthiourea IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dihexylthiourea Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dihexyl-thiourea Formula: C28H41N3O2S2 MolecularWeight: 515.77404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C28H41N3O2S2/c1-3-5-7-11-20-30(21-12-8-6-4-2)28(34)29-26-15-17-27(18-16-26)35(32,33)31-22-19-24-13-9-10-14-25(24)23-31/h9-10,13-18H,3-8,11-12,19-23H2,1-2H3,(H,29,34)