N-[6-acetamido-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: N-[6-acetamido-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: N-(6-acetamido-3-benzyl-5-octoxy-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-[6-acetamido-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: N-(6-acetamido-3-benzyl-5-octoxy-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(6-acetamido-3-benzyl-5-octoxy-1,3-benzothiazol-2-ylidene)benzamide Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CC4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C31H35N3O3S/c1-3-4-5-6-7-14-19-37-28-21-27-29(20-26(28)32-23(2)35)38-31(33-30(36)25-17-12-9-13-18-25)34(27)22-24-15-10-8-11-16-24/h8-13,15-18,20-21H,3-7,14,19,22H2,1-2H3,(H,32,35)