1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-cyano-1,2-dimethyl-3-pyrrolyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-3-piperonyl-thiourea Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N5O2S/c1-11-13(6-14(7-18)22(11)2)9-20-21-17(25)19-8-12-3-4-15-16(5-12)24-10-23-15/h3-6,9H,8,10H2,1-2H3,(H2,19,21,25)/b20-9-