2-methyl-N-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methyl-N-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-methyl-N-[[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 2-methyl-N-[[4-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-methyl-N-[[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H23N3O3S/c1-14-5-2-3-7-18(14)20(26)24-21(28)23-16-10-8-15(9-11-16)19(25)22-13-17-6-4-12-27-17/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,25)(H2,23,24,26,28)/t17-/m1/s1