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

Systemtic Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-4-7-19-18(25)21-20-10-14-8-12(2)22(13(14)3)15-5-6-16-17(9-15)24-11-23-16/h4-6,8-10H,1,7,11H2,2-3H3,(H2,19,21,25)/b20-10-