1-(phenylmethyl)-3-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea

Systemtic Name: 1-(phenylmethyl)-3-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea Openeye Name: 1-benzyl-3-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]urea CAS Name: 1-(phenylmethyl)-3-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea IUPAC Name: 1-benzyl-3-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea Traditional Name: 1-benzyl-3-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]urea Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S2/c25-21(22-15-16-6-2-1-3-7-16)23-18-11-10-17-8-4-12-24(19(17)14-18)29(26,27)20-9-5-13-28-20/h1-3,5-7,9-11,13-14H,4,8,12,15H2,(H2,22,23,25)