N-[2,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]phenyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=S)NCC3CCCO3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C21H25N3O4S/c1-26-18-12-17(24-21(29)22-13-15-9-6-10-28-15)19(27-2)11-16(18)23-20(25)14-7-4-3-5-8-14/h3-5,7-8,11-12,15H,6,9-10,13H2,1-2H3,(H,23,25)(H2,22,24,29)/t15-/m1/s1