1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]thiourea CAS Name: 1-[(Z)-1-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]ethylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]thiourea Traditional Name: 1-benzyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidinomethyl)phenyl]ethylideneamino]thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC(=C(C=C2)OC)CN3CCCC3

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=CC=C1)/C2=CC(=C(C=C2)OC)CN3CCCC3

InChI

InChI=1S/C22H28N4OS/c1-17(24-25-22(28)23-15-18-8-4-3-5-9-18)19-10-11-21(27-2)20(14-19)16-26-12-6-7-13-26/h3-5,8-11,14H,6-7,12-13,15-16H2,1-2H3,(H2,23,25,28)/b24-17-