3-(1,3-benzothiazol-6-ylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(1,3-benzothiazol-6-ylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,3-benzothiazol-6-ylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(1,3-benzothiazol-6-ylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(1,3-benzothiazol-6-ylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(1,3-benzothiazol-6-ylamino)-4-[(3-hydroxybenzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H13N3O3S/c22-12-3-1-2-10(6-12)8-19-15-16(18(24)17(15)23)21-11-4-5-13-14(7-11)25-9-20-13/h1-7,9,19,21-22H,8H2