4-[[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)amino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)thiocarbamoylamino]methyl]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)NCC3=CC=C(C=C3)C(=O)O)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)NCC3=CC=C(C=C3)C(=O)O)CC2OC(=C1)O

InChI

InChI=1S/C19H20N2O4S/c1-11-8-17(22)25-16-9-14(6-7-15(11)16)21-19(26)20-10-12-2-4-13(5-3-12)18(23)24/h2-5,8,16,22H,6-7,9-10H2,1H3,(H,20,26)(H,23,24)