N-[5-(4-aminophenyl)sulfanyl-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

Systemtic Name: N-[5-(4-aminophenyl)sulfanyl-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide Openeye Name: N-[5-(4-aminophenyl)sulfanylthiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropanecarboxamide CAS Name: N-[5-[(4-aminophenyl)thio]-2-thiazolyl]-1-(1,3-benzodioxol-5-yl)-1-cyclopropanecarboxamide IUPAC Name: N-[5-(4-aminophenyl)sulfanyl-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide Traditional Name: N-[5-[(4-aminophenyl)thio]thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropanecarboxamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)NC4=NC=C(S4)SC5=CC=C(C=C5)N

Isomeric SMILES

C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)NC4=NC=C(S4)SC5=CC=C(C=C5)N

InChI

InChI=1S/C20H17N3O3S2/c21-13-2-4-14(5-3-13)27-17-10-22-19(28-17)23-18(24)20(7-8-20)12-1-6-15-16(9-12)26-11-25-15/h1-6,9-10H,7-8,11,21H2,(H,22,23,24)