1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,4-dimethylpyrrol-3-ylidene)ethylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,4-dimethylpyrrol-3-ylidene)ethylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,4-dimethylpyrrol-3-ylidene)ethylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,4-dimethyl-3-pyrrolylidene)ethylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,4-dimethylpyrrol-3-ylidene)ethylamino]thiourea Traditional Name: 1-[1-(2,4-dimethylpyrrol-3-ylidene)ethylamino]-3-piperonyl-thiourea Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C1=C(C)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CN=C(C1=C(C)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H20N4O2S/c1-10-7-18-11(2)16(10)12(3)20-21-17(24)19-8-13-4-5-14-15(6-13)23-9-22-14/h4-7,20H,8-9H2,1-3H3,(H2,19,21,24)