1-butyl-3-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]thiourea Formula: C20H28N6S MolecularWeight: 384.54152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(N=C1C)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=C(N(N=C1C)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C20H28N6S/c1-3-4-12-21-20(27)23-22-15-18-16(2)24-26(17-10-6-5-7-11-17)19(18)25-13-8-9-14-25/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3,(H2,21,23,27)/b22-15-