2-[6-[(4-carbamimidoylphenyl)carbothioylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbothioylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylbenzenecarbothioyl)amino]chroman-2-yl]acetic acid CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-sulfanylidenemethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylbenzenecarbothioyl)amino]-3,4-dihydro-2H-chromen-2-yl]acetic acid Traditional Name: 2-[6-[(4-amidinothiobenzoyl)amino]chroman-2-yl]acetic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=S)C3=CC=C(C=C3)C(=N)N)OC1CC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=S)C3=CC=C(C=C3)C(=N)N)OC1CC(=O)O

InChI

InChI=1S/C19H19N3O3S/c20-18(21)11-1-3-12(4-2-11)19(26)22-14-6-8-16-13(9-14)5-7-15(25-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,26)(H,23,24)