2-(1,3-benzothiazol-2-yl)-4-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxybenzoyl)carbamothioylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxybenzoyl)thiocarbamoylamino]phenolate Formula: C25H22N3O3S2- MolecularWeight: 476.59048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O3S2/c1-2-3-13-31-18-8-6-7-16(14-18)23(30)28-25(32)26-17-11-12-21(29)19(15-17)24-27-20-9-4-5-10-22(20)33-24/h4-12,14-15,29H,2-3,13H2,1H3,(H2,26,28,30,32)/p-1