1-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(E)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(tetrahydrofurfuryl)thiourea Formula: C20H30N4OS MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1CCCO1)C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C/C(=N\NC(=S)NCC1CCCO1)/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H30N4OS/c1-16(22-23-20(26)21-15-19-7-6-14-25-19)17-8-10-18(11-9-17)24-12-4-2-3-5-13-24/h8-11,19H,2-7,12-15H2,1H3,(H2,21,23,26)/b22-16+