2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-butylphenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-butylphenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(4-butylanilino)prop-2-enenitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(4-butylanilino)-2-propenenitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-butylanilino)prop-2-enenitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(4-butylanilino)acrylonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21N3O2S/c1-2-3-4-16-5-8-19(9-6-16)25-13-18(12-24)23-26-20(14-29-23)17-7-10-21-22(11-17)28-15-27-21/h5-11,13-14,25H,2-4,15H2,1H3