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

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

Isomeric SMILES

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

InChI

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