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

Systemtic Name: N-[6-acetamido-5-hexoxy-3-(1-phenoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: N-[6-acetamido-5-hexoxy-3-(1-phenoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: N-[6-acetamido-5-hexoxy-3-(1-phenoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: N-[6-acetamido-5-hexoxy-3-(1-phenoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: N-[6-acetamido-5-hexoxy-3-(1-phenoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)C(C)OC4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)C(C)OC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C30H33N3O4S/c1-4-5-6-13-18-36-27-20-26-28(19-25(27)31-21(2)34)38-30(32-29(35)23-14-9-7-10-15-23)33(26)22(3)37-24-16-11-8-12-17-24/h7-12,14-17,19-20,22H,4-6,13,18H2,1-3H3,(H,31,34)