3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzamide CAS Name: 3-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-16-12-23(29)31-22-14-20(10-11-21(16)22)28-25(32)27-19-9-5-8-18(13-19)24(30)26-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,30)(H2,27,28,32)