1-(1,3-benzodioxol-5-yl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O4S2/c27-32(28,26-13-3-5-16-4-1-2-6-20(16)26)19-10-7-17(8-11-19)24-23(31)25-18-9-12-21-22(14-18)30-15-29-21/h1-2,4,6-12,14H,3,5,13,15H2,(H2,24,25,31)