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

Systemtic Name: 3-methyl-N-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-methyl-N-[[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-methyl-N-[[4-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-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(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H23N3O3S/c1-14-4-2-5-16(12-14)20(26)24-21(28)23-17-9-7-15(8-10-17)19(25)22-13-18-6-3-11-27-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)(H2,23,24,26,28)/t18-/m1/s1