2-[(3-methylphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-[(3-methylphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[(3-methylbenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[(3-methylbenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-(m-toluoylthiocarbamoylamino)-N-(tetrahydrofurfuryl)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=C2C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

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