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

Systemtic Name: 1-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-phenethyl-thiourea Openeye Name: 1-[(Z)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-phenethyl-thiourea CAS Name: 1-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-3-phenethylthiourea IUPAC Name: 1-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-phenethylthiourea Traditional Name: 1-[(Z)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-phenethyl-thiourea Formula: C20H28N4S MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=N\NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4S/c1-15(2)14-24-16(3)12-19(17(24)4)13-22-23-20(25)21-11-10-18-8-6-5-7-9-18/h5-9,12-13,15H,10-11,14H2,1-4H3,(H2,21,23,25)/b22-13-