3-[4-(1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methyl-phenyl)imino-1,3-thiazol-3-yl]propan-1-amine

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methyl-phenyl)imino-1,3-thiazol-3-yl]propan-1-amine Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methyl-phenyl)imino-thiazol-3-yl]propan-1-amine CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methylphenyl)imino-3-thiazolyl]-1-propanamine IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methyl-phenyl)imino-4-thiazolin-3-yl]propylamine Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCCN)OC

Isomeric SMILES

CC1=CC(=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCCN)OC

InChI

InChI=1S/C21H23N3O3S/c1-14-4-6-16(19(10-14)25-2)23-21-24(9-3-8-22)17(12-28-21)15-5-7-18-20(11-15)27-13-26-18/h4-7,10-12H,3,8-9,13,22H2,1-2H3