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

Systemtic Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-propyl-thiourea Openeye Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-propyl-thiourea CAS Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-propylthiourea IUPAC Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-propylthiourea Traditional Name: 1-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-propyl-thiourea Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCCNC(=S)N/N=C\C1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H22N4O2S/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/h5-6,8-10H,4,7,11H2,1-3H3,(H2,19,21,25)/b20-10-