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

Systemtic Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-methyl-thiourea Openeye Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-methyl-thiourea CAS Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-methylthiourea IUPAC Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-methylthiourea Traditional Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-methyl-thiourea Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=NNC(=S)NC

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=N\NC(=S)NC

InChI

InChI=1S/C16H18N4O2S/c1-10-6-12(8-18-19-16(23)17-3)11(2)20(10)13-4-5-14-15(7-13)22-9-21-14/h4-8H,9H2,1-3H3,(H2,17,19,23)/b18-8-